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International Journal of Quantum Chemistry

Volumn 16, Issue 5, 1979, Pages 1069-1101

MCSCF optimization through combined use of natural orbitals and the brillouin–levy–berthier theorem

(3) Ruedenberg, K a Cheung, L M a,b Elbert, S T a

a IOWA STATE UNIVERSITY (United States)

b UNIVERSITY OF OTTAWA (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84987084579 PISSN: 00207608 EISSN: 1097461X Source Type: Journal
DOI: 10.1002/qua.560160511 Document Type: Article

Times cited : (287)

References (61)

1
- 0004008602
- Clarendon, Oxford
- (1934) Wave Mechanics, Advanced General Theory , pp. 460
- Frenkel, J.¹

2
- 0000463724
- Self-Consistent Field, Including Exchange and Superposition of Configurations, with Some Results for Oxygen
- (1939) Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences , vol.238 , pp. 229
- Hartree, D.R.¹ Hartree, W.² Swirles, B.³

3
- 0345666796
- (1968) J. Chem. Phys. , vol.48 , pp. 3414
- Miller, K.J.¹ Ruedenberg, K.²

4
- 0000503993
- (1970) J. Chem. Phys. , vol.52 , pp. 1174
- Mehler, E.L.¹ Silver, D.M.² Ruedenberg, K.³

5
- 84987059788
- J. Chem. Phys. , vol.52 , Issue.1 , pp. 118

6
- 0001225552
- (1970) J. Chem. Phys. , vol.52 , pp. 1206

7
- 0141846405
- (1967) Theor. Chim. Acta , vol.7 , pp. 133
- Veillard, A.¹ Clementi, E.²

8
- 84987059808
- Phys. Rev. , vol.157 , Issue.1 , pp. 8
- Goddard, W.A.¹

9
- 36849101961
- Self-Consistent Procedures for Generalized Valence Bond Wavefunctions. Applications H3, BH, H2O, C2H6, and O2
- (1972) The Journal of Chemical Physics , vol.57 , pp. 738
- Hunt, W.J.¹ Hay, P.J.² Goddard, W.A.³

10
- 0002686501
- (1966) J. Chem. Phys. , vol.44 , pp. 87
- Das, G.¹ Wahl, A.C.²

11
- 0346091804
- (1972) J. Chem. Phys. , vol.56 , pp. 1769

12
- 84987068005
- (1973) Int. J. Quantum Chem. , vol.7 S , pp. 143
- Karo, A.¹ Krauss, M.² Wahl, A.C.³

13
- 0346722378
- (b) See also
- (1968) J. Chem. Phys. , vol.48 , pp. 1994
- Levy, B.¹

14
- 0346722383
- Multi-Configuration Self-Consistent-Field Theory
- (1967) Progress of Theoretical Physics Supplement , vol.40 , pp. 37
- Hinze, J.¹ Roothaan, C.C.J.²

15
- 51149205888
- MC-SCF. I. The multi-configuration self-consistent-field method
- (1973) The Journal of Chemical Physics , vol.59 , pp. 6424
- Hinze, J.¹

16
- 36849099559
- (1972) J. Chem. Phys. , vol.57 , pp. 4928
- Docken, K.K.¹ Hinze, J.²

17
- 36849105991
- (1973) J. Chem. Phys. , vol.59 , pp. 1457
- Hirao, K.¹ Nakatsuji, H.²

18
- 3342886702
- (1956) J. Chim. Phys. , vol.53 , pp. 393
- Lefebvre, R.¹ Moser, C.M.²

19
- 3342884979
- (1957) J. Chim. Phys. , vol.54 , pp. 168
- Lefebvre, R.¹

20
- 84987091007
- (1959) Cahiers Phys. , vol.13 , pp. 1

21
- 84913292178
- Herrmann, Paris
- (1934) Act. Sci. Ind. No. 159
- Brillouin, L.¹

22
- 84995188737
- Generalized brillouin theorem for multiconfigurationalSCF theories
- (1968) International Journal of Quantum Chemistry , vol.2 , pp. 307
- Levy, B.¹ Berthier, G.²

23
- 84995189299
- (1969) Int. J. Quantum Chem. , vol.3 , pp. 247

24
- 0006858628
- (1969) Chem. Phys. Lett. , vol.4 , pp. 17
- Levy, B.¹

25
- 84987067836
- (1970) Int. J. Quantum Chem. , vol.4 , pp. 297

26
- 0002903486
- (1971) Chem. Phys. Lett. , vol.12 , pp. 44
- Grein, F.¹ Chang, T.C.²

27
- 84987068900
- (1975) Int. J. Quantum Chem. Symp. , vol.9 , pp. 147
- Grein, F.¹ Banerjee, A.²

28
- 0037752929
- (1977) J. Chem. Phys. , vol.66 , pp. 1054
- Banerjee, A.¹ Grein, F.²

29
- 0038429377
- (1977) Theor. Chim. Acta , vol.44 , pp. 45
- Chang, T.C.¹ Schwarz, W.H.E.²

30
- 0000605769
- (1966) J. Phys. Chem. , vol.70 , pp. 2675
- Bender, C.F.¹ Davidson, E.R.²

31
- 84987136866
- J. Chem. Phys. , vol.64 , Issue.1 , pp. 98
- Yarkony, D.R.¹ Schaefer, H.F.² Bender, C.F.³

32
- 36749109399
- Symmetry-adapted-multiconfiguration SCF wavefunctions via symmetry-restricted annihilation of single excitations. I.
- (1977) The Journal of Chemical Physics , vol.66 , pp. 2045
- Yarkony, D.R.¹

33
- 0010781749
- (1978) J. Chem. Phys. , vol.68 , pp. 2696
- Lucchese, R.R.¹ Yarkony, D.R.²

34
- 84987136851
- research report, March, Ames Laboratory, D.O.E., Ames, Ia
- (1972)
- Cheung, L.M.¹ Ruedenberg, K.²

35
- 84987054763
- Eighth Midwest Theoretical Chemistry Conference, May 1–3, Madison, Wisconsin.
- (1975)
- Cheung, L.M.¹ Sundberg, K.² Ruedenberg, K.³

36
- 84987055562
- The University of Wisconsin Theoretical Chemistry Institute Report No. 531, pp., 56
- (1975) , pp. 15

37
- 84987149004
- (c) Lap Ming Cheung, Ph.D. dissertation in the Department of Chemistry, Iowa State University
- (1975)

38
- 3943055936
- Springer‐Verlag, Berlin
- (1978) A General SCF Theory, Lecture Notes in Chemistry , vol.5
- Carbo, R.¹ Riera, J.M.²

39
- 3843051162
- (1971) Phys. Rev. Lett. , vol.27 , pp. 1105
- Ruedenberg, K.¹

40
- 36849113996
- (1972) J. Chem. Phys. , vol.57 , pp. 2776
- Salmon, W.I.¹ Ruedenberg, K.²

41
- 36849114923
- (1972) J. Chem. Phys. , vol.57 , pp. 2787
- Salmon, W.I.¹ Ruedenberg, K.² Cheung, L.M.³

42
- 77956774447
- (1972) Adv. Quantum Chem. , vol.6 , pp. 267
- Ruedenberg, K.¹ Poshusta, R.D.²

43
- 0001348112
- (1930) Z. Phys. , vol.65 , pp. 759
- Hylleraas, E.A.¹ Undheim, B.²

44
- 0039392475
- Successive Approximations by the Rayleigh-Ritz Variation Method
- (1933) Physical Review , vol.43 , pp. 830
- McDonald, J.K.L.¹

45
- 84987054799
- (1970) J. Comput. Phys. , vol.6 , pp. 24
- Shavitt, I.¹

46
- 24544432103
- (1955) Phys. Rev. , vol.97 , pp. 1474
- Löwdin, P.O.¹

47
- 36149014811
- (1957) Phys. Rev. , vol.105 , pp. 102
- Carlson, B.C.¹ Keller, J.M.²

48
- 84958735995
- (1948) Proc. Camb. Phil. Soc. , vol.45 , pp. 230
- Hartree, D.R.¹

49
- 0003014521
- (1963) Methods Comput. Phys. , vol.2 , pp. 47
- Roothaan, C.C.J.¹ Bagus, P.S.²

50
- 0003779036
- Academic, New York
- (1976) Introduction to the Electron Theory of Small Molecules , pp. 33
- Hurley, A.C.¹

51
- 36849104603
- General contraction of Gaussian atomic orbitals: Core, valence, polarization, and diffuse basis sets; Molecular integral evaluation
- (1973) The Journal of Chemical Physics , vol.58 , pp. 4452
- Raffenetti, R.C.¹

52
- 0000258539
- (1973) Chem. Phys. Lett. , vol.20 , pp. 335
- Raffenetti, R.C.¹

53
- 49649130918
- (1972) J. Comp. Phys. , vol.9 , pp. 547
- Bender, C.F.¹

54
- 0001198991
- The method of configurational interaction
- H. F. Schaefer, Plenum, New York
- (1977) Methods in Electronic Structure Theory , pp. 189
- Shavitt, I.¹

55
- 84987105569
- Ph.D. Thesis, University of Washington
- (1973)
- Elbert, S.T.¹

56
- 0346511673
- p/6.]
- (1974) Theor. Chim. Acta , vol.33 , pp. 1
- Diercksen, G.H.F.¹

57
- 51249187303
- (1975) Theor. Chim. Acta , vol.39 , pp. 247
- Pounder, C.N.M.¹

58
- 0013518960
- (1977) Theor. Chim. Acta , vol.44 , pp. 97
- Ruttink, P.J.A.¹ van Lenthe, J.H.²

59
- 36749118815
- (1978) J. Chem. Phys. , vol.68 , pp. 3833
- Dalgaard, E.¹ Jorgensen, P.²

60
- 0037752931
- (1979) J. Chem. Phys. , vol.71 , pp. 755
- Yeager, D.L.¹ Jorgensen, P.²

61
- 84987090900
- J. Chem. Phys.
- Roothaan, C.C.J.¹ Detrich, J.² Hopper, D.G.³

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