-
1
-
-
0012342559
-
-
Harper and Row: New York
-
A remark attributed to P. A. M. Dirac in 1929, as quoted for example in: La Paalia, S. R. Introductory Quantum Chemistry, Harper and Row: New York, 1971.
-
(1971)
Introductory Quantum Chemistry
-
-
La Paalia, S.R.1
-
7
-
-
0004264260
-
-
Academic: Boston, MA
-
The following textbooks provide a general introduction to quantum mechanics for chemists: (a) Lowe, J. P. Quantum Chemistry, Academic: Boston, MA, 1993.
-
(1993)
Quantum Chemistry
-
-
Lowe, J.P.1
-
8
-
-
0004255576
-
-
University Science Books: Mill Valley, CA
-
(b) McQuarrie, D. A. Quantum Chemistry; University Science Books: Mill Valley, CA, 1983.
-
(1983)
Quantum Chemistry
-
-
McQuarrie, D.A.1
-
13
-
-
0003895523
-
-
Academic: London
-
For a graduate level treatment of most areas of electronic structure theory, see, for example: McWeeny, R. Methods of Molecular Quantum Mechanics; Academic: London, 1989.
-
(1989)
Methods of Molecular Quantum Mechanics
-
-
McWeeny, R.1
-
20
-
-
0002787146
-
-
Smith, D. W., McRae, W. B., Eds.; Wiley: New York
-
Pople, J. A. In Energy, Structure and Reactivity: Proceedings of the 1972 Boulder Summer Research Conference on Theoretical Chemistry; Smith, D. W., McRae, W. B., Eds.; Wiley: New York, 1973; p 51.
-
(1973)
Energy, Structure and Reactivity: Proceedings of the 1972 Boulder Summer Research Conference on Theoretical Chemistry
, pp. 51
-
-
Pople, J.A.1
-
22
-
-
84987143265
-
-
Bartlett, R. J.; Purvis, G. B. Int. J. Quantum. Chem., Quantum Chem. Symp. 1978, 14, 561.
-
(1978)
Int. J. Quantum. Chem., Quantum Chem. Symp.
, vol.14
, pp. 561
-
-
Bartlett, R.J.1
Purvis, G.B.2
-
24
-
-
33750098391
-
-
Yarkony, D. R., Ed.; World Scientific: Singapore
-
A current technical treatment of many advanced topics in electronic structure theory is given in the following compilation: Modern Electronic Structure Theory; Yarkony, D. R., Ed.; World Scientific: Singapore, 1995; Parts I and II.
-
(1995)
Modern Electronic Structure Theory
, Issue.1-2 PART
-
-
-
26
-
-
25344450852
-
-
Chakravorty, S. J.: Gwaltney, S. R.; Davidson, E. R.; Parpia, F. A.; Froese-Fischer, C. Phys. Rev. 1993, 47, A3649.
-
(1993)
Phys. Rev.
, vol.47
-
-
Chakravorty, S.J.1
Gwaltney, S.R.2
Davidson, E.R.3
Parpia, F.A.4
Froese-Fischer, C.5
-
27
-
-
0000165323
-
-
See for example: Bauschlicher, C. W.; Lanahoff, S. R.; Taylor, P. R. Adv. Chem. Phys. 1990, 77, 103.
-
(1990)
Adv. Chem. Phys.
, vol.77
, pp. 103
-
-
Bauschlicher, C.W.1
Lanahoff, S.R.2
Taylor, P.R.3
-
29
-
-
0001198991
-
-
Schaefer, H. F., Ed.; Plenum: New York, k
-
For an overview, see for example; Shavitt, I. In Modern Theoretical Chemistry; Schaefer, H. F., Ed.; Plenum: New York, 1977; kVol. 4, p 189.
-
(1977)
Modern Theoretical Chemistry
, vol.4
, pp. 189
-
-
Shavitt, I.1
-
33
-
-
0006244148
-
-
Raghavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479.
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
34
-
-
0041401966
-
-
Curtiss, L. A.; Raghavachari, K.; Trucks, G. W.; Pople, J. A. J. Chem. Phys. 1991, 94, 7221.
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 7221
-
-
Curtiss, L.A.1
Raghavachari, K.2
Trucks, G.W.3
Pople, J.A.4
-
35
-
-
0011126739
-
-
Ab Initio Quantum Chemistry II; Lawley, K. P., Ed.
-
See for example articles by: Roos, B. O.; Bruna, P.; Peyerimhoff, S. D.; Shepard, R. In Ab Initio Quantum Chemistry II; Lawley, K. P., Ed.; Adv. Chem. Phys. 1987, 67.
-
(1987)
Adv. Chem. Phys.
, vol.67
-
-
Roos, B.O.1
Bruna, P.2
Peyerimhoff, S.D.3
Shepard, R.4
-
37
-
-
0004035344
-
-
Langhoff, S. R., Ed.; Kluwer: Dordrecht
-
Roos, B. O.; Fulscher, M. P.; Malmqvist, P. A.; Merchan, M.; Serrano-Andres, L. In Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy, Langhoff, S. R., Ed.; Kluwer: Dordrecht, 1994.
-
(1994)
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy
-
-
Roos, B.O.1
Fulscher, M.P.2
Malmqvist, P.A.3
Merchan, M.4
Serrano-Andres, L.5
-
44
-
-
23244460838
-
-
Perdew, J. P.; Chaevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Phys. Rev. 1992, B46, 6671.
-
(1992)
Phys. Rev.
, vol.B46
, pp. 6671
-
-
Perdew, J.P.1
Chaevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
46
-
-
16444375810
-
-
Johnson, B. G.; Gill, P. M. W.; Pople, J. A. J. Chem. Phys. 1993, 98, 5612.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5612
-
-
Johnson, B.G.1
Gill, P.M.W.2
Pople, J.A.3
-
51
-
-
0001329184
-
-
Pople, J. A.; Raghavachari, K.; Schlegel, H. B.; Binkley, J. S. Int. J. Quantum Chem., Quantum Chem. Symp. 1979, 13, 225.
-
(1979)
Int. J. Quantum Chem., Quantum Chem. Symp.
, vol.13
, pp. 225
-
-
Pople, J.A.1
Raghavachari, K.2
Schlegel, H.B.3
Binkley, J.S.4
-
56
-
-
0000186252
-
-
Yarkony, D. R., Ed.; World Scientific: Singapore
-
Olsen, J.; Jørgensen, P. In Modern Electronic Structure Theory; Yarkony, D. R., Ed.; World Scientific: Singapore, 1995; Part II, p 857.
-
(1995)
Modern Electronic Structure Theory
, Issue.2 PART
, pp. 857
-
-
Olsen, J.1
Jørgensen, P.2
-
59
-
-
84986450150
-
-
Almlöf. J.; Faegri, K., Jr.; Korsell, K. J. Comput. Chem. 1982, 3, 385.
-
(1982)
J. Comput. Chem.
, vol.3
, pp. 385
-
-
Almlöf, J.1
Faegri Jr., K.2
Korsell, K.3
-
60
-
-
24244438779
-
-
White, C. A.; Johnson, B. G.; Gill, P. M. W.; Head-Gordon, M. Chem. Phys. Lett. 1994, 230, 8;
-
(1994)
Chem. Phys. Lett.
, vol.230
, pp. 8
-
-
White, C.A.1
Johnson, B.G.2
Gill, P.M.W.3
Head-Gordon, M.4
-
61
-
-
0030567425
-
-
White, C. A.; Johnson, B. G.; Gill, P. M. W.; Head-Gordon, M. Chem. Phys. Lett. 1996, 253, 268.
-
(1996)
Chem. Phys. Lett.
, vol.253
, pp. 268
-
-
White, C.A.1
Johnson, B.G.2
Gill, P.M.W.3
Head-Gordon, M.4
-
62
-
-
35949007371
-
-
Li, X.-P.; Nunes, R. W.; Vanderbilt, D. Phys. Rev. 1993, B47, 10891.
-
(1993)
Phys. Rev.
, vol.B47
, pp. 10891
-
-
Li, X.-P.1
Nunes, R.W.2
Vanderbilt, D.3
-
65
-
-
36449006884
-
-
There is of course one significant exception to this statement, which is the use of ab initio calculations to parametrize empirical potential energy surfaces, either in combination with experimental data or by itself, which defines "ab initio-derived potential energy surfaces". See for example: Weakliem, P. C.; Carter, E. A. J. Chem. Phys. 1993, 98, 737.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 737
-
-
Weakliem, P.C.1
Carter, E.A.2
-
69
-
-
0000798783
-
Hartree-Fock Ab Initio Treatment of Crystalline Systems
-
Springer-Verlag: Berlin, in the series
-
Pisani, C.; Dovesi, R.; Roetti, C. Hartree-Fock Ab Initio Treatment of Crystalline Systems; Springer-Verlag: Berlin, 1988; Vol. 48 in the series Lecture Notes in Chemistry.
-
(1988)
Lecture Notes in Chemistry
, vol.48
-
-
Pisani, C.1
Dovesi, R.2
Roetti, C.3
-
70
-
-
0028497104
-
-
and the following articles
-
Pisani, C.; Cora, F.; Nada, R.; Orlando, R. Comput. Phys. Commun. 1994, 82, 139 (and the following articles).
-
(1994)
Comput. Phys. Commun.
, vol.82
, pp. 139
-
-
Pisani, C.1
Cora, F.2
Nada, R.3
Orlando, R.4
-
71
-
-
33750092835
-
Cluster Approach to the Chemistry and Physics of Surfaces and Interfaces
-
Bagus, P. S.; Pacchioni, R., Eds.
-
Bagus, P. S.; Pacchioni, R., Eds. Cluster Approach to the Chemistry and Physics of Surfaces and Interfaces; special issue of J. Electron Spectrosc. Relat. Phenom. 1994, 69.
-
(1994)
J. Electron Spectrosc. Relat. Phenom.
, vol.69
, Issue.SPEC. ISSUE
-
-
-
76
-
-
33750136907
-
-
(b) Feinberg, M. J.; Ruedenberg, K.; Mehler, E. L. Adv. Quantum Chem. 1970, 5, 28.
-
(1970)
Adv. Quantum Chem.
, vol.5
, pp. 28
-
-
Feinberg, M.J.1
Ruedenberg, K.2
Mehler, E.L.3
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