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463:, where the density functional is split into four terms; the KohnâSham kinetic energy, an external potential, exchange and correlation energies. A large part of the focus on developing DFT is on improving the exchange and correlation terms. Though this method is less developed than post HartreeâFock methods, its significantly lower computational requirements (scaling typically no worse than
25:
341:). Since all other atomic and molecular systems involve the motions of three or more "particles", their Schrödinger equations cannot be solved analytically and so approximate and/or computational solutions must be sought. The process of seeking computational solutions to these problems is part of the field known as
333:, usually making use of the BornâOppenheimer (BâO) approximation. This is called determining the electronic structure of the molecule. An exact solution for the non-relativistic Schrödinger equation can only be obtained for the hydrogen atom (though exact solutions for the bound state energies of the
200:
is a central goal of quantum chemistry. Progress in the field depends on overcoming several challenges, including the need to increase the accuracy of the results for small molecular systems, and to also increase the size of large molecules that can be realistically subjected to computation, which is
359:
As mentioned above, Heitler and London's method was extended by Slater and
Pauling to become the valence-bond (VB) method. In this method, attention is primarily devoted to the pairwise interactions between atoms, and this method therefore correlates closely with classical chemists' drawings of
381:
260:
In the years to follow, this theoretical basis slowly began to be applied to chemical structure, reactivity, and bonding. In addition to the investigators mentioned above, important progress and critical contributions were made in the early years of this field by
103:, and solutions at the atomic level. These calculations include systematically applied approximations intended to make calculations computationally feasible while still capturing as much information about important contributions to the computed
459:, although it was not very successful in the treatment of entire molecules. The method did provide the basis for what is now known as density functional theory (DFT). Modern day DFT uses the
245:
on the concept of valence and its quantum-mechanical basis into a new theoretical framework. Many chemists were introduced to the field of quantum chemistry by
Pauling's 1939 text
161:. Spectroscopic properties may also be predicted. Typically, such studies assume the electronic wave function is adiabatically parameterized by the nuclear positions (i.e., the
1241:
1059:"The nature of the chemical bond. Application of results obtained from the quantum mechanics and from a theory of paramagnetic susceptibility to the structure of molecules"
755:
364:. It focuses on how the atomic orbitals of an atom combine to give individual chemical bonds when a molecule is formed, incorporating the two key concepts of
555:
demonstrates that the myriad (dynamic) chemical behaviors observed in real world phenomena remain largely without ultimate quantum chemical explanation.
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1240:
Zhen-Gang Wang, J. Chem. Phys. 117, 481â500 (2002), âConcentration fluctuation in binary polymer blends: Ï parameter, spinodal and
Ginzburg criterionâ
735:
253:) and explained quantum mechanics in a way which could be followed by chemists. The text soon became a standard text at many universities. In 1937,
221:
is often recognized as the first milestone in the history of quantum chemistry. This was the first application of quantum mechanics to the diatomic
626:
Non-adiabatic dynamics consists of taking the interaction between several coupled potential energy surfaces (corresponding to different electronic
875:
Perspectives in
Quantum Chemistry. Académie Internationale Des Sciences Moléculaires Quantiques/International Academy of Quantum Molecular Science
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1719:
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in 1927. Pioneering applications of this in chemistry were performed by Rice and
Ramsperger in 1927 and Kassel in 1928, and generalized into the
95:
to chemical systems, particularly towards the quantum-mechanical calculation of electronic contributions to physical and chemical properties of
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135:
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https://pubs.aip.org/aip/jcp/article-abstract/117/1/481/463142/Concentration-fluctuation-in-binary-polymer-blends?redirectedFrom=fulltext
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413:. The HundâMulliken approach or molecular orbital (MO) method is less intuitive to chemists, but has turned out capable of predicting
480:
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1803:
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142:. Quantum chemistry may be applied to the prediction and verification of spectroscopic data as well as other experimental data.
551:, are also possible and are particularly useful for describing equilibrium distributions of states. Still, the frustration of
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The Nature of the
Chemical Bond and the Structure of Molecules and Crystals: An Introduction to Modern Structural Chemistry
247:
The Nature of the
Chemical Bond and the Structure of Molecules and Crystals: An Introduction to Modern Structural Chemistry
225:, and thus to the phenomenon of the chemical bond. However, prior to this a critical conceptual framework was provided by
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of the molecule). The coupling terms are called vibronic couplings. The pioneering work in this field was done by
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Considers the extent to which chemistry and especially the periodic system has been reduced to quantum mechanics.
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appears to have been the first to publish a book on quantum chemistry, in the
Russian and German languages.
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1986:
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limited by scaling considerations â the computation time increases as a power of the number of atoms.
237:. Important contributions were also made by Yoshikatsu Sugiura and S.C. Wang. A series of articles by
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787:
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241:, written throughout the 1930s, integrated the work of Heitler, London, Sugiura, Wang, Lewis, and
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1976:
1959:
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in order to study the motion of molecules. Direct solution of the Schrödinger equation is called
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of its electrons. The first step in solving a quantum chemical problem is usually solving the
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1964:
1889:
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872:
KoĆos, W. (1989). "The Origin, Development and
Significance of the Heitler-London Approach".
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2008:
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properties. Quantum chemistry is also concerned with the computation of quantum effects on
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in 1927. This was the first attempt to describe many-electron systems on the basis of
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981:"Yoshikatsu Sugiura's Contribution to the Development of Quantum Physics in Japan"
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1981:
1971:
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883:
835:"Wechselwirkung neutraler Atome und homopolare Bindung nach der Quantenmechanik"
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of individual atoms and molecules as well as the study of reaction pathways and
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Some view the birth of quantum chemistry as starting with the discovery of the
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1541:
Modern
Quantum Chemistry: Introduction to Advanced Electronic Structure Theory
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formulation to add quantum corrections to molecular dynamics, which is called
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2003:
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in 1935 into account. These methods enable simple estimates of unimolecular
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2035:
1934:
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1004:
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487:(post-HartreeâFock methods) has made it one of the most popular methods in
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444:
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414:
218:
146:
123:
1135:. ĐлаĐČĐœĐ°Ń Đ Đ”ĐŽĐ°ĐșŃĐžŃ ĐąĐ”Ń
ĐœĐžĐșĐŸ-ĐąĐ”ĐŸŃĐ”ŃĐžŃĐ”ŃĐșĐŸĐč ĐĐžŃĐ”ŃĐ°ŃŃŃŃ, Moscow and Leningrad.
1020:"The Problem of the Normal Hydrogen Molecule in the New Quantum Mechanics"
569:
In adiabatic dynamics, interatomic interactions are represented by single
3214:
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908:
1697:
1076:
926:
834:
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better than the VB method. This approach is the conceptual basis of the
397:
An alternative approach to valence bond theory was developed in 1929 by
2500:
1351:
Atoms and Molecules. An introduction for students of physical chemistry
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858:
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2764:
2562:
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are one type of non-adiabatic reactions where at least one change in
647:
573:
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basis functions, for the pure functionals) allow it to tackle larger
385:
213:
and its application to the hydrogen atom. However, a 1927 article of
107:
as well as to observable properties such as structures, spectra, and
2676:
479:. This computational affordability and often comparable accuracy to
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760:
585:
410:
409:
are described by mathematical functions delocalized over an entire
406:
270:
130:
of energy on a molecular scale can be obtained. Common methods are
100:
96:
1297:
Quanta, Matter and Change: A Molecular Approach to Physical Change
547:. Statistical approaches, using for example classical and quantum
337:
within the B-O approximation have been identified in terms of the
2604:
1598:
942:"Ăber die Eigenschaften des WasserstoffmolekĂŒls im Grundzustande"
663:
1460:
Introduction to Quantum Mechanics with Applications to Chemistry
646:. Their formula allows the transition probability between two
532:. Another approach to dynamics is a hybrid framework known as
1630:
1368:. Course of Theoretical Physic. Vol. 3. Pergamon Press.
1337:
Neither Physics nor Chemistry: A History of Quantum Chemistry
249:, wherein he summarized this work (referred to widely now as
145:
Many quantum chemistry studies are focused on the electronic
380:
2579:
593:
756:
List of quantum chemistry and solid-state physics software
196:
through the development of computational solutions to the
2589:
1161:
Simons, Jack (2003). "Chapter 6. Electronic Structures".
1193:
Electronic Structure: Basic Theory and Practical Methods
642:
in the 1930s, in their work on what is now known as the
878:. Vol. 6. Dordrecht: Springer. pp. 145â159.
1608:
1402:
Coulson, Charles Alfred (1991) . McWeeny, Roy (ed.).
1107:"Pauling Publishes "The Nature of the Chemical Bond""
612:
from a few characteristics of the potential surface.
233:, wherein Lewis developed the first working model of
677:
165:). A wide variety of approaches are used, including
525:simulations of molecular motion are referred to as
1500:The Periodic Table: Its Story and Its Significance
1497:
1433:
736:International Academy of Quantum Molecular Science
615:
3470:
1604:Early ideas in the history of quantum chemistry
1522:Quantum Biochemistry and Specific Interactions
1476:
1363:
1294:
1275:
558:
2692:
1713:
1454:
1170:. Cambridge, UK: Cambridge University Press.
832:
136:nuclear magnetic resonance (NMR) spectroscopy
1538:
1215:
1079:– via Oregon State University Library.
428:
1562:Handbook of computational quantum chemistry
1477:Pullman, Bernard; Pullman, Alberte (1963).
1428:
650:potential curves in the neighborhood of an
375:
2699:
2685:
1720:
1706:
812:(2nd ed.). University Science Books.
499:A further step can consist of solving the
1727:
1366:Quantum Mechanics:Non-relativistic Theory
1280:(4th ed.). Oxford University Press.
1195:. Cambridge: Cambridge University Press.
1094:(1st ed.). Cornell University Press.
807:
68:Learn how and when to remove this message
1539:Szabo, Attila; Ostlund, Neil S. (1996).
1353:, BenjaminâCummings Publishing Company,
1218:A Chemist's Guide to Valence Bond Theory
1164:An introduction to theoretical chemistry
1145:
1064:Journal of the American Chemical Society
914:Journal of the American Chemical Society
379:
126:through which information regarding the
1481:. New York and London: Academic Press.
1406:(3 ed.). Oxford University Press.
1401:
1130:
1089:
1056:
939:
304:
3471:
1495:
1382:
1256:
1190:
1160:
978:
539:yet another hybrid framework uses the
348:
2706:
2680:
1701:
1519:
1387:(6th ed.). McGrawâHill Science.
1364:Landau, L.D.; Lifshitz, E.M. (1977).
1313:
906:
871:
384:An anti-bonding molecular orbital of
2635:
1637:
1599:ChemViz Curriculum Support Resources
1559:
1319:Atoms in Molecules: A Quantum Theory
1017:
985:Berichte zur Wissenschaftsgeschichte
494:
18:
2659:
1295:Atkins, P.W.; Friedman, R. (2008).
1276:Atkins, P.W.; Friedman, R. (2005).
1216:Shaik, S.S.; Hiberty, P.C. (2007).
13:
1104:
513:, whereas its solution within the
16:Chemistry based on quantum physics
14:
3490:
1587:
1191:Martin, Richard M. (2008-10-27).
726:CarâParrinello molecular dynamics
3453:
3452:
2658:
2646:
2634:
2623:
2622:
1680:
1663:
1646:
1618:
1349:Karplus M., Porter R.N. (1971).
1057:Pauling, Linus (April 6, 1931).
833:Heitler, W.; London, F. (1927).
751:Quantum computational chemistry
694:
680:
545:path integral molecular dynamics
535:mixed quantum-classical dynamics
331:electronic molecular Hamiltonian
23:
1234:
1209:
1184:
1154:
1148:EinfĂŒhrung in die Quantenchemie
1139:
1124:
1098:
616:Non-adiabatic chemical dynamics
443:was developed independently by
3402:Relativistic quantum mechanics
1335:Gavroglu, Kostas; Ana SimÔes:
1083:
1050:
1011:
972:
933:
900:
865:
826:
801:
778:Relativistic quantum chemistry
731:Electron localization function
582:BornâOppenheimer approximation
565:BornâOppenheimer approximation
553:non-equilibrium thermodynamics
339:generalized Lambert W function
327:relativistic quantum chemistry
313:of an atom or molecule is the
163:BornâOppenheimer approximation
91:focused on the application of
1:
3380:Quantum statistical mechanics
3157:Quantum differential calculus
3079:Delayed-choice quantum eraser
2862:Symmetry in quantum mechanics
1987:Interface and colloid science
1741:Glossary of chemical formulae
1560:Cook, David Branston (1998).
1150:. Deuticke, Leipzig und Wien.
808:McQuarrie, Donald A. (2007).
794:
662:occurs when progressing from
7:
3182:Quantum stochastic calculus
3172:Quantum measurement problem
3094:MachâZehnder interferometer
2264:Bioorganometallic chemistry
1751:List of inorganic compounds
1564:. Oxford University Press.
1504:. Oxford University Press.
1321:. Oxford University Press.
1278:Molecular Quantum Mechanics
1261:. Oxford University Press.
909:"The Atom and the Molecule"
884:10.1007/978-94-009-0949-6_8
673:
559:Adiabatic chemical dynamics
132:infra-red (IR) spectroscopy
85:molecular quantum mechanics
43:. The specific problem is:
10:
3495:
2190:Dynamic covalent chemistry
2161:Enantioselective synthesis
2141:Physical organic chemistry
2094:Organolanthanide chemistry
1594:The Sherrill Group â Notes
1250:
1018:Wang, S. C. (1928-04-01).
619:
562:
432:
390:
352:
204:
3448:
3410:
3362:
3242:Quantum complexity theory
3220:Quantum cellular automata
3195:
3127:
3061:
2974:
2938:
2925:Path integral formulation
2892:
2757:
2714:
2618:
2521:
2282:
2198:
2119:
2069:
1945:
1888:
1779:Electroanalytical methods
1764:
1736:
1458:; Wilson, E. B. (1963) .
578:potential energy surfaces
435:Density functional theory
429:Density functional theory
231:The Atom and the Molecule
171:density functional theory
140:scanning probe microscopy
122:Chemists rely heavily on
45:weak information content.
3309:Quantum machine learning
3289:Quantum key distribution
3279:Quantum image processing
3269:Quantum error correction
3119:Wheeler's delayed choice
2534:Nobel Prize in Chemistry
2450:Supramolecular chemistry
2089:Organometallic chemistry
1524:. Taylor & Francis.
1496:Scerri, Eric R. (2006).
979:Nakane, Michiyo (2019).
788:Spin forbidden reactions
773:Quantum electrochemistry
721:Condensed matter physics
656:Spin-forbidden reactions
517:approximation is called
415:spectroscopic properties
393:Molecular orbital theory
376:Molecular orbital theory
3225:Quantum finite automata
2472:Combinatorial chemistry
2383:Food physical chemistry
2346:Environmental chemistry
2230:Bioorthogonal chemistry
2156:Retrosynthetic analysis
1977:Chemical thermodynamics
1960:Spectroelectrochemistry
1903:Computational chemistry
1146:Hellmann, Hans (1937).
1090:Pauling, Linus (1939).
767:Quantum Aspects of Life
716:Computational chemistry
644:LandauâZener transition
519:semiclassical dynamics.
489:computational chemistry
343:computational chemistry
3329:Quantum neural network
2544:of element discoveries
2390:Agricultural chemistry
2378:Carbohydrate chemistry
2269:Bioinorganic chemistry
2134:Alkane stereochemistry
2079:Coordination chemistry
1908:Mathematical chemistry
1774:Instrumental chemistry
1462:. Dover Publications.
1440:. Dover Publications.
1220:. Wiley-Interscience.
1111:History of Information
1044:10.1103/PhysRev.31.579
997:10.1002/bewi.201900007
946:Zeitschrift fĂŒr Physik
839:Zeitschrift fĂŒr Physik
388:
335:hydrogen molecular ion
177:calculations, quantum
3354:Quantum teleportation
2882:Waveâparticle duality
2539:Timeline of chemistry
2436:Post-mortem chemistry
2421:Clandestine chemistry
2351:Atmospheric chemistry
2274:Biophysical chemistry
2106:Solid-state chemistry
2056:Equilibrium chemistry
1965:Photoelectrochemistry
1257:Atkins, P.W. (2002).
541:Feynman path integral
505:molecular Hamiltonian
383:
366:orbital hybridization
275:J. Robert Oppenheimer
3385:Quantum field theory
3314:Quantum metamaterial
3259:Quantum cryptography
2989:Consistent histories
2529:History of chemistry
2484:Chemical engineering
2259:Bioorganic chemistry
2009:Structural chemistry
1746:List of biomolecules
1479:Quantum Biochemistry
1131:ЄДлŃĐŒĐ°Đœ, Đ. (1937).
940:Sugiura, Y. (1927).
907:Lewis, G.N. (1916).
604:theory developed by
501:Schrödinger equation
473:polyatomic molecules
319:Schrödinger equation
311:electronic structure
305:Electronic structure
283:Maria Goeppert Mayer
211:Schrödinger equation
198:Schrödinger equation
190:electronic structure
50:improve this article
39:to meet Knowledge's
3370:Quantum fluctuation
3339:Quantum programming
3299:Quantum logic gates
3284:Quantum information
3264:Quantum electronics
2739:Classical mechanics
2552:The central science
2506:Ceramic engineering
2431:Forensic toxicology
2404:Chemistry education
2302:Radiation chemistry
2284:Interdisciplinarity
2237:Medicinal chemistry
2175:Fullerene chemistry
2051:Microwave chemistry
1920:Molecular mechanics
1915:Molecular modelling
1383:Levine, I. (2008).
1339:, MIT Press, 2011,
1077:10.1021/ja01355a027
1036:1928PhRv...31..579W
958:1927ZPhy...45..484S
927:10.1021/ja02261a002
851:1927ZPhy...44..455H
783:Theoretical physics
741:Molecular modelling
549:Monte Carlo methods
419:HartreeâFock method
355:Valence bond theory
349:Valence bond theory
251:valence bond theory
3423:in popular culture
3205:Quantum algorithms
3053:Von NeumannâWigner
3033:Objective collapse
2744:Old quantum theory
2595:Chemical substance
2457:Chemical synthesis
2426:Forensic chemistry
2307:Actinide chemistry
2249:Clinical chemistry
1930:Molecular geometry
1925:Molecular dynamics
1880:Elemental analysis
1833:Separation process
1520:Simon, Z. (1976).
1385:Physical Chemistry
1259:Physical Chemistry
966:10.1007/BF01329207
859:10.1007/BF01397394
746:Physical chemistry
654:to be calculated.
596:theory in 1952 by
528:molecular dynamics
453:electronic density
441:ThomasâFermi model
403:Robert S. Mulliken
389:
295:John Lennard-Jones
267:Robert S. Mulliken
229:in his 1916 paper
194:molecular dynamics
159:chemical reactions
157:that occur during
113:molecular dynamics
89:physical chemistry
3479:Quantum chemistry
3466:
3465:
3440:Quantum mysticism
3418:Schrödinger's cat
3349:Quantum simulator
3319:Quantum metrology
3247:Quantum computing
3210:Quantum amplifier
3187:Quantum spacetime
3152:Quantum cosmology
3142:Quantum chemistry
2857:Scattering theory
2805:Zero-point energy
2800:Degenerate levels
2708:Quantum mechanics
2674:
2673:
2610:Quantum mechanics
2575:Chemical compound
2558:Chemical reaction
2496:Materials science
2414:General chemistry
2409:Amateur chemistry
2337:Photogeochemistry
2322:Stellar chemistry
2292:Nuclear chemistry
2213:Molecular biology
2180:Polymer chemistry
2151:Organic synthesis
2146:Organic reactions
2111:Ceramic chemistry
2101:Cluster chemistry
2031:Chemical kinetics
2019:Molecular physics
1898:Quantum chemistry
1811:Mass spectrometry
1633:Quantum chemistry
1531:978-0-85626-087-2
1436:General Chemistry
1404:Coulson's valence
1394:978-0-07-253862-5
1359:978-0-8053-5218-4
1328:978-0-19-855865-1
1306:978-0-7167-6117-4
1287:978-0-19-927498-7
1202:978-0-521-53440-6
893:978-94-010-6917-5
810:Quantum Chemistry
622:Vibronic coupling
495:Chemical dynamics
423:post-HartreeâFock
235:valence electrons
223:hydrogen molecule
155:transition states
117:chemical kinetics
93:quantum mechanics
87:, is a branch of
81:Quantum chemistry
78:
77:
70:
41:quality standards
32:This article may
3486:
3456:
3455:
3167:Quantum geometry
3162:Quantum dynamics
3019:Superdeterminism
2915:Matrix mechanics
2770:Braâket notation
2701:
2694:
2687:
2678:
2677:
2662:
2661:
2650:
2638:
2637:
2626:
2625:
2570:Chemical element
2225:Chemical biology
2084:Magnetochemistry
2061:Mechanochemistry
2014:Chemical physics
1955:Electrochemistry
1860:Characterization
1722:
1715:
1708:
1699:
1698:
1693:
1685:
1684:
1683:
1676:
1668:
1667:
1666:
1659:
1651:
1650:
1649:
1639:
1623:
1622:
1621:
1614:
1583:
1554:
1535:
1515:
1503:
1492:
1473:
1451:
1439:
1425:
1398:
1379:
1332:
1310:
1291:
1272:
1244:
1238:
1232:
1231:
1213:
1207:
1206:
1188:
1182:
1181:
1169:
1158:
1152:
1151:
1143:
1137:
1136:
1128:
1122:
1121:
1119:
1117:
1105:Norman, Jeremy.
1102:
1096:
1095:
1087:
1081:
1080:
1071:(4): 1367â1400.
1054:
1048:
1047:
1015:
1009:
1008:
976:
970:
969:
952:(7â8): 484â492.
937:
931:
930:
904:
898:
897:
869:
863:
862:
845:(6â7): 455â472.
830:
824:
823:
805:
704:
699:
698:
690:
688:Chemistry portal
685:
684:
683:
652:avoided crossing
602:transition state
510:quantum dynamics
467:with respect to
461:KohnâSham method
227:Gilbert N. Lewis
217:(1904â1981) and
73:
66:
62:
59:
53:
27:
26:
19:
3494:
3493:
3489:
3488:
3487:
3485:
3484:
3483:
3469:
3468:
3467:
3462:
3444:
3430:Wigner's friend
3406:
3397:Quantum gravity
3358:
3344:Quantum sensing
3324:Quantum network
3304:Quantum machine
3274:Quantum imaging
3237:Quantum circuit
3232:Quantum channel
3191:
3137:Quantum biology
3123:
3099:ElitzurâVaidman
3074:DavissonâGermer
3057:
3009:Hidden-variable
2999:de BroglieâBohm
2976:Interpretations
2970:
2934:
2888:
2775:Complementarity
2753:
2710:
2705:
2675:
2670:
2614:
2517:
2511:Polymer science
2467:Click chemistry
2462:Green chemistry
2356:Ocean chemistry
2332:Biogeochemistry
2278:
2194:
2166:Total synthesis
2129:Stereochemistry
2115:
2065:
1982:Surface science
1972:Thermochemistry
1941:
1884:
1855:Crystallography
1760:
1732:
1726:
1696:
1686:
1681:
1679:
1669:
1664:
1662:
1652:
1647:
1645:
1642:
1638:sister projects
1635:at Knowledge's
1629:
1619:
1617:
1609:
1590:
1572:
1551:
1532:
1512:
1489:
1470:
1448:
1414:
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1376:
1329:
1307:
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1269:
1253:
1248:
1247:
1239:
1235:
1228:
1214:
1210:
1203:
1189:
1185:
1178:
1167:
1159:
1155:
1144:
1140:
1133:ĐĐČĐ°ĐœŃĐŸĐČĐ°Ń Đ„ĐžĐŒĐžŃ
1129:
1125:
1115:
1113:
1103:
1099:
1088:
1084:
1055:
1051:
1024:Physical Review
1016:
1012:
977:
973:
938:
934:
905:
901:
894:
870:
866:
831:
827:
820:
806:
802:
797:
792:
700:
693:
686:
681:
679:
676:
624:
618:
567:
561:
503:with the total
497:
437:
431:
395:
378:
357:
351:
307:
291:Douglas Hartree
263:Irving Langmuir
207:
183:coupled cluster
74:
63:
57:
54:
47:
28:
24:
17:
12:
11:
5:
3492:
3482:
3481:
3464:
3463:
3461:
3460:
3449:
3446:
3445:
3443:
3442:
3437:
3432:
3427:
3426:
3425:
3414:
3412:
3408:
3407:
3405:
3404:
3399:
3394:
3393:
3392:
3382:
3377:
3375:Casimir effect
3372:
3366:
3364:
3360:
3359:
3357:
3356:
3351:
3346:
3341:
3336:
3334:Quantum optics
3331:
3326:
3321:
3316:
3311:
3306:
3301:
3296:
3291:
3286:
3281:
3276:
3271:
3266:
3261:
3256:
3255:
3254:
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3229:
3228:
3227:
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3207:
3201:
3199:
3193:
3192:
3190:
3189:
3184:
3179:
3174:
3169:
3164:
3159:
3154:
3149:
3144:
3139:
3133:
3131:
3125:
3124:
3122:
3121:
3116:
3111:
3109:Quantum eraser
3106:
3101:
3096:
3091:
3086:
3081:
3076:
3071:
3065:
3063:
3059:
3058:
3056:
3055:
3050:
3045:
3040:
3035:
3030:
3025:
3024:
3023:
3022:
3021:
3006:
3001:
2996:
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2980:
2978:
2972:
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2963:
2958:
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2942:
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2936:
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2922:
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2907:
2902:
2896:
2894:
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2887:
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2869:
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2859:
2854:
2849:
2844:
2839:
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2829:
2824:
2819:
2814:
2809:
2808:
2807:
2802:
2797:
2792:
2782:
2780:Density matrix
2777:
2772:
2767:
2761:
2759:
2755:
2754:
2752:
2751:
2746:
2741:
2736:
2735:
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2718:
2716:
2712:
2711:
2704:
2703:
2696:
2689:
2681:
2672:
2671:
2669:
2668:
2656:
2644:
2632:
2619:
2616:
2615:
2613:
2612:
2607:
2602:
2597:
2592:
2587:
2582:
2577:
2572:
2567:
2566:
2565:
2555:
2548:
2547:
2546:
2536:
2531:
2525:
2523:
2519:
2518:
2516:
2515:
2514:
2513:
2508:
2503:
2493:
2492:
2491:
2481:
2480:
2479:
2474:
2469:
2464:
2454:
2453:
2452:
2441:
2440:
2439:
2438:
2433:
2423:
2418:
2417:
2416:
2411:
2400:
2399:
2398:
2397:
2395:Soil chemistry
2387:
2386:
2385:
2380:
2373:Food chemistry
2370:
2368:Carbochemistry
2365:
2363:Clay chemistry
2360:
2359:
2358:
2353:
2342:
2341:
2340:
2339:
2334:
2324:
2318:Astrochemistry
2314:Cosmochemistry
2311:
2310:
2309:
2304:
2299:
2297:Radiochemistry
2288:
2286:
2280:
2279:
2277:
2276:
2271:
2266:
2261:
2256:
2254:Neurochemistry
2251:
2246:
2245:
2244:
2234:
2233:
2232:
2222:
2221:
2220:
2215:
2204:
2202:
2196:
2195:
2193:
2192:
2187:
2185:Petrochemistry
2182:
2177:
2172:
2163:
2158:
2153:
2148:
2143:
2138:
2137:
2136:
2125:
2123:
2117:
2116:
2114:
2113:
2108:
2103:
2098:
2097:
2096:
2086:
2081:
2075:
2073:
2067:
2066:
2064:
2063:
2058:
2053:
2048:
2046:Spin chemistry
2043:
2041:Photochemistry
2038:
2033:
2028:
2026:Femtochemistry
2023:
2022:
2021:
2011:
2006:
2001:
1996:
1995:
1994:
1984:
1979:
1974:
1969:
1968:
1967:
1962:
1951:
1949:
1943:
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1940:
1939:
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1937:
1927:
1922:
1917:
1912:
1911:
1910:
1900:
1894:
1892:
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1885:
1883:
1882:
1877:
1872:
1867:
1862:
1857:
1852:
1851:
1850:
1845:
1838:Chromatography
1835:
1830:
1829:
1828:
1823:
1818:
1808:
1807:
1806:
1801:
1796:
1791:
1781:
1776:
1770:
1768:
1762:
1761:
1759:
1758:
1756:Periodic table
1753:
1748:
1743:
1737:
1734:
1733:
1725:
1724:
1717:
1710:
1702:
1695:
1694:
1677:
1675:from Wikibooks
1660:
1631:
1628:
1627:
1607:
1606:
1601:
1596:
1589:
1588:External links
1586:
1585:
1584:
1570:
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1555:
1549:
1536:
1530:
1517:
1510:
1493:
1487:
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1446:
1426:
1412:
1399:
1393:
1380:
1374:
1361:
1347:
1333:
1327:
1315:Bader, Richard
1311:
1305:
1292:
1286:
1273:
1267:
1252:
1249:
1246:
1245:
1233:
1227:978-0470037355
1226:
1208:
1201:
1183:
1176:
1153:
1138:
1123:
1097:
1082:
1049:
1030:(4): 579â586.
1010:
991:(4): 338â356.
971:
932:
921:(4): 762â785.
899:
892:
864:
825:
819:978-1891389504
818:
799:
798:
796:
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791:
790:
785:
780:
775:
770:
763:
758:
753:
748:
743:
738:
733:
728:
723:
718:
713:
711:Atomic physics
707:
706:
705:
702:Physics portal
691:
675:
672:
628:quantum states
620:Main article:
617:
614:
610:reaction rates
584:introduced by
580:. This is the
563:Main article:
560:
557:
496:
493:
477:macromolecules
457:wave functions
433:Main article:
430:
427:
399:Friedrich Hund
391:Main article:
377:
374:
353:Main article:
350:
347:
323:Dirac equation
306:
303:
243:John C. Slater
215:Walter Heitler
206:
203:
188:Understanding
167:semi-empirical
151:excited states
105:wave functions
83:, also called
76:
75:
31:
29:
22:
15:
9:
6:
4:
3:
2:
3491:
3480:
3477:
3476:
3474:
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3322:
3320:
3317:
3315:
3312:
3310:
3307:
3305:
3302:
3300:
3297:
3295:
3294:Quantum logic
3292:
3290:
3287:
3285:
3282:
3280:
3277:
3275:
3272:
3270:
3267:
3265:
3262:
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3185:
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3175:
3173:
3170:
3168:
3165:
3163:
3160:
3158:
3155:
3153:
3150:
3148:
3147:Quantum chaos
3145:
3143:
3140:
3138:
3135:
3134:
3132:
3130:
3126:
3120:
3117:
3115:
3114:SternâGerlach
3112:
3110:
3107:
3105:
3102:
3100:
3097:
3095:
3092:
3090:
3087:
3085:
3082:
3080:
3077:
3075:
3072:
3070:
3067:
3066:
3064:
3060:
3054:
3051:
3049:
3048:Transactional
3046:
3044:
3041:
3039:
3038:Quantum logic
3036:
3034:
3031:
3029:
3026:
3020:
3017:
3016:
3015:
3012:
3011:
3010:
3007:
3005:
3002:
3000:
2997:
2995:
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2990:
2987:
2985:
2982:
2981:
2979:
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2916:
2913:
2911:
2908:
2906:
2903:
2901:
2898:
2897:
2895:
2891:
2883:
2880:
2878:
2875:
2874:
2873:
2872:Wave function
2870:
2868:
2865:
2863:
2860:
2858:
2855:
2853:
2850:
2848:
2847:Superposition
2845:
2843:
2842:Quantum state
2840:
2838:
2835:
2833:
2830:
2828:
2825:
2823:
2820:
2818:
2815:
2813:
2810:
2806:
2803:
2801:
2798:
2796:
2795:Excited state
2793:
2791:
2788:
2787:
2786:
2783:
2781:
2778:
2776:
2773:
2771:
2768:
2766:
2763:
2762:
2760:
2756:
2750:
2747:
2745:
2742:
2740:
2737:
2733:
2730:
2729:
2728:
2725:
2723:
2720:
2719:
2717:
2713:
2709:
2702:
2697:
2695:
2690:
2688:
2683:
2682:
2679:
2667:
2666:
2657:
2655:
2654:
2649:
2645:
2643:
2642:
2633:
2631:
2630:
2621:
2620:
2617:
2611:
2608:
2606:
2603:
2601:
2600:Chemical bond
2598:
2596:
2593:
2591:
2588:
2586:
2583:
2581:
2578:
2576:
2573:
2571:
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2520:
2512:
2509:
2507:
2504:
2502:
2499:
2498:
2497:
2494:
2490:
2489:Stoichiometry
2487:
2486:
2485:
2482:
2478:
2475:
2473:
2470:
2468:
2465:
2463:
2460:
2459:
2458:
2455:
2451:
2448:
2447:
2446:
2445:Nanochemistry
2443:
2442:
2437:
2434:
2432:
2429:
2428:
2427:
2424:
2422:
2419:
2415:
2412:
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2401:
2396:
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2300:
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2240:
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2203:
2201:
2197:
2191:
2188:
2186:
2183:
2181:
2178:
2176:
2173:
2171:
2170:Semisynthesis
2167:
2164:
2162:
2159:
2157:
2154:
2152:
2149:
2147:
2144:
2142:
2139:
2135:
2132:
2131:
2130:
2127:
2126:
2124:
2122:
2118:
2112:
2109:
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2102:
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2016:
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2012:
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2004:Sonochemistry
2002:
2000:
1999:Cryochemistry
1997:
1993:
1992:Micromeritics
1990:
1989:
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3089:FranckâHertz
2951:KleinâGordon
2900:Formulations
2893:Formulations
2822:Interference
2812:Entanglement
2790:Ground state
2785:Energy level
2758:Fundamentals
2722:Introduction
2663:
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2477:Biosynthesis
2327:Geochemistry
2242:Pharmacology
2218:Cell biology
2208:Biochemistry
2036:Spectroscopy
1935:VSEPR theory
1897:
1784:Spectroscopy
1728:Branches of
1687:
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287:Erich HĂŒckel
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175:HartreeâFock
147:ground state
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128:quantization
124:spectroscopy
121:
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48:Please help
44:
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3435:EPR paradox
3215:Quantum bus
3084:Double-slit
3062:Experiments
3028:Many-worlds
2966:Schrödinger
2930:Phase space
2920:Schrödinger
2910:Interaction
2867:Uncertainty
2837:Nonlocality
2832:Measurement
2827:Decoherence
2817:Hamiltonian
2665:WikiProject
1890:Theoretical
1875:Calorimetry
1456:Pauling, L.
1430:Pauling, L.
590:Oppenheimer
455:instead of
405:, in which
329:) with the
179:Monte Carlo
52:if you can.
3363:Extensions
3197:Technology
3043:Relational
2994:Copenhagen
2905:Heisenberg
2852:Tunnelling
2715:Background
2501:Metallurgy
2200:Biological
1766:Analytical
1177:0521823609
795:References
660:spin state
574:potentials
185:methods.
3069:Bell test
2939:Equations
2765:Born rule
2563:Catalysis
2071:Inorganic
1865:Titration
1730:chemistry
1672:Textbooks
1625:Chemistry
1580:468919475
1543:. Dover.
1422:468330825
648:adiabatic
523:classical
475:and even
425:methods.
407:electrons
386:Butadiene
370:resonance
169:methods,
101:materials
97:molecules
3473:Category
3458:Category
3252:Timeline
3004:Ensemble
2984:Bayesian
2877:Collapse
2749:Glossary
2732:Timeline
2629:Category
2585:Molecule
2522:See also
1947:Physical
1432:(1954).
1317:(1994).
1116:July 11,
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761:QMC@Home
674:See also
664:reactant
411:molecule
271:Max Born
58:May 2023
34:require
3411:Related
3390:History
3129:Science
2961:Rydberg
2727:History
2641:Commons
2605:Alchemy
2121:Organic
1251:Sources
1032:Bibcode
954:Bibcode
847:Bibcode
668:product
576:called
521:Purely
485:CCSD(T)
205:History
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3104:Popper
2653:Portal
1799:UV-Vis
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1826:MALDI
1794:Raman
1655:Media
1168:(PDF)
640:Zener
449:Fermi
362:bonds
2580:Atom
1848:HPLC
1689:Data
1576:OCLC
1566:ISBN
1545:ISBN
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1418:OCLC
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