SCOPUS 정보 검색 플랫폼

The Journal of Chemical Physics

Volumn 90, Issue 3, 1989, Pages 1752-1766

Analytic energy derivatives in many-body methods. I. First derivatives

(3) Salter, E A a Trucks, Gary W a Bartlett, Rodney J a

a UNIVERSITY OF FLORIDA (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 26444507215 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.456069 Document Type: Article

Times cited : (561)

References (67)

1
- 36849113883
- (1968) J. Chem. Phys. , vol.49 , pp. 1719
- Garrett, J.¹ Mills, I.M.²

2
- 84931507903
- (1969) Mol. Phys. , vol.17 , pp. 197
- Pulay, P.¹

3
- 11344256275
- (1970) , vol.18 , pp. 473
- Pulay, P.¹

4
- 0000868756
- J. Chem. Phys.
- (1977) , vol.67 , pp. 4181
- Schlegel, H.B.¹ Wolfe, S.² Bernardi, F.³

5
- 0000383501
- (1977) Chem. Phys. Lett. , vol.45 , pp. 595
- Kormonicki, A.¹ Ishida, K.² Morokuma, K.³ Ditchfield, R.⁴ Conrad, M.⁵

6
- 84987141367
- (1977) Int. J. Quantum Chem. , vol.11 , pp. 613
- Dupuis, M.¹ King, H.F.²

7
- 0011398687
- (1978) J. Chem. Phys. , vol.68 , pp. 3998
- Dupuis, M.¹ King, H.F.²

8
- 0006783522
- (1979) Chem. Phys. Lett. , vol.65 , pp. 19
- Kato, S.¹ Morokuma, K.²

9
- 84987140565
- (1979) J. Chem. Phys. , vol.71 , pp. 1259
- Goddard, J.D.¹ Handy, N.C.² Schaefer, H.F.³

10
- 0001464701
- J. Chem. Phys.
- (1984) J. Chem. Phys. , vol.81 , pp. 434
- Page, M.¹ Saxe, P.² Adams, G.F.³ Lengsfield, B.H.⁴

11
- 84987085142
- (1982) J. Chem. Phys. , vol.77 , pp. 383
- Brooks, B.R.¹ Laidig, W.D.² Saxe, P.³ Goddard, J.D.⁴ Yamaguchi, Y.⁵ Schaefer, H.F.⁶

12
- 84987100611
- (1979) Int. J. Quantum Chem. Symp. , vol.13 , pp. 225
- Pople, J.A.¹ Krishnan, R.² Schlegel, H.B.³ Binkley, J.S.⁴

13
- 0001380886
- (1983) J. Chem. Phys. , vol.79 , pp. 334
- Jo/rgensen, P.¹ Simons, J.²

14
- 0000095425
- (1958) Nucl. Phys. , vol.1 , pp. 421
- Coester, F.¹

15
- 50549159570
- (1960) Nucl. Phys. , vol.17 , pp. 477
- Coester, F.¹ Kümmel, H.²

16
- 0001392512
- (1966) J. Chem. Phys. , vol.45 , pp. 4256
- Cizek, J.¹

17
- 0001802479
- (1969) Adv. Chem. Phys. , vol.14 , pp. 35
- Cizek, J.¹

18
- 0002334650
- (1972) Phys. Rev. A , vol.5 , pp. 50
- Paldus, J.¹ Cizek, J.² Shavitt, I.³

19
- 0001913433
- edited by P. O. Lowdin and B. Pullman (Reidel, Dordecht, Holland)
- (1983) New Horizons of Quantum Chemistry , pp. 31-60
- Paldus, J.¹

20
- 0001802479
- (1969) Adv. Chem. Phys. , vol.14 , pp. 35
- Cizek, J.¹

21
- 84987143265
- (1978) Int. J. Quantum Chem. , vol.14 , pp. 561
- Bartlett, R.J.¹ Purvis, G.D.²

22
- 84952296491
- (1980) Phys. Scr. , vol.21 , pp. 255
- Bartlett, R.J.¹ Purvis, G.D.²

23
- 84987097935
- (1978) Int. J. Quantum Chem. , vol.14 , pp. 545
- Pople, J.A.¹ Krishnan, R.² Schlegel, H.B.³ Binkley, J.S.⁴

24
- 0000301667
- (1981) J. Chem. Phys. , vol.75 , pp. 1284
- Purvis, G.D.¹ Bartlett, R.J.²

25
- 0000122016
- J. Chem. Phys.
- (1982) J. Chem. Phys. , vol.76 , pp. 1910
- Purvis, G.D.¹ Bartlett, R.J.²

26
- 0001004578
- (1979) J. Chem. Phys. , vol.71 , pp. 281
- Bartlett, R.J.¹ Shavitt, I.² Purvis, G.D.³

27
- 0001626413
- (1981) Annu. Rev. Phys. Chem. , vol.32 , pp. 359
- Bartlett, R.J.¹

28
- 0004224683
- edited by C. E. Dykstra (Reidel, Dordecht, Holland)
- (1984) Advanced Theories and Computational Approaches for the Electronic Structure of Molecules
- Bartlett, R.J.¹ Dykstra, C.E.² Paldus, J.³

29
- 36549094083
- (1984) J. Chem. Phys. , vol.81 , pp. 5906
- Lee, Y.S.¹ Kucharski, S.² Bartlett, R.J.³

30
- 36549092221
- (1987) J. Chem. Phys. , vol.86 , pp. 7041
- Noga, J.¹ Bartlett, R.J.²

31
- 0001369325
- (E)J. Chem. Phys.
- (1988) J. Chem. Phys. , vol.89 , pp. 3401
- Noga, J.¹ Bartlett, R.J.²

32
- 0343532153
- (1985) J. Chem. Phys. , vol.83 , pp. 4041
- Urban, M.¹ Noga, J.² Cole, S.³ Bartlett, R.J.⁴

33
- 11744319230
- (1974) Phys. Rev. A , vol.10 , pp. 1927
- Bartlett, R.J.¹ Silver, D.M.²

34
- 33645885520
- (1977) Chem. Phys. Lett. , vol.50 , pp. 190
- Bartlett, R.J.¹ Shavitt, I.²

35
- 0347698380
- Chem. Phys. Lett.
- (1978) , vol.59 , pp. 157
- Bartlett, R.J.¹ Shavitt, I.²

36
- 85022733707
- (1980) Chem. Phys. Lett. , vol.75 , pp. 66
- Frisch, M.J.¹ Krishnan, R.² Pople, J.A.³

37
- 0000649832
- (1980) J. Chem. Phys. , vol.72 , pp. 4244
- Krishnan, R.¹ Frisch, M.J.² Pople, J.A.³

38
- 84990650873
- (1980) Chem. Phys. Lett. , vol.73 , pp. 607
- Guest, M.F.¹ Wilson, S.²

39
- 0010801859
- (1983) Chem. Phys. Lett. , vol.98 , pp. 66
- Bartlett, R.J.¹ Sekino, H.² Purvis, G.D.³

40
- 0011740672
- edited by P. Jorgensen and J. Simons (Reidel, Dordrecht, Holland)
- (1985) Geometrical Derivatives of Energy Surfaces and Geometrical Properties
- Bartlett, R.J.¹

41
- 36549103062
- (1986) J. Chem. Phys. , vol.85 , pp. 5143
- Fitzgerald, G.B.¹ Harrison, R.J.² Bartlett, R.J.³

42
- 36549092414
- (1981) J. Chem. Phys. , vol.81 , pp. 5031
- Handy, N.C.¹ Schaefer, H.F.²

43
- 0001260773
- (1987) J. Chem. Phys. , vol.87 , pp. 5361
- Scheiner, A.C.¹ Scuseria, G.E.² Rice, J.E.³ Lee, T.J.⁴ Schaefer, H.F.⁵

44
- 2542446756
- (1988) Chem. Phys. Lett. , vol.146 , pp. 23
- Scuseria, G.E.¹ Schaefer, H.F.²

45
- 84987142183
- (1977) Int. J. Quantum Chem. Symp. , vol.11 , pp. 421
- Monkhorst, H.J.¹

46
- 0000198328
- (1979) Chem. Phys. , vol.39 , pp. 325
- Mukherjee, D.¹ Mukherjee, P.K.²

47
- 84987058293
- (1984) Int. J. Quantum Chem. Symp. , vol.18 , pp. 245
- Adamowicz, L.¹ Laidig, W.D.² Bartlett, R.J.³

48
- 0041867850
- (1985) J. Chem. Phys. , vol.82 , pp. 4379
- Fitzgerald, G.B.¹ Harrison, R.J.² Laidig, W.D.³ Bartlett, R.J.⁴

49
- 0011986426
- (1985) Chem. Phys. Lett. , vol.117 , pp. 433
- Fitzgerald, G.B.¹ Harrison, R.J.² Laidig, W.D.³ Bartlett, R.J.⁴

50
- 0041367109
- (1987) Chem. Phys. Lett. , vol.138 , pp. 131
- Gauss, J.¹ Cremer, D.²

51
- 0011984373
- (1987) Chem. Phys. Lett. , vol.141 , pp. 61
- Salter, E.A.¹ Trucks, G.W.² Bartlett, R.J.³

52
- 24244452302
- (1988) Chem. Phys. Lett. , vol.147 , pp. 359
- Trucks, G.¹ Salter, E.A.² Sosa, C.³ Bartlett, R.J.⁴

53
- 0000515817
- (1985) Chem. Phys. Lett. , vol.120 , pp. 151
- Handy, N.C.¹ Amos, R.D.² Gaw, J.F.³ Rice, J.E.⁴ Simandiras, E.S.⁵

54
- 0011682081
- (1987) J. Chem. Phys. , vol.87 , pp. 5968
- Pople, J.A.¹ Head-Gordon, M.² Raghavachari, K.³

55
- 0012126914
- (1975) Adv. Quantum Chem. , vol.9 , pp. 105
- Paldus, J.¹ Cizek, J.²

56
- 0001047589
- (1986) Adv. Quantum Chem. , vol.18 , pp. 281
- Kucharski, S.¹ Bartlett, R.J.²

57
- 36849112417
- (1969) J. Chem. Phys. , vol.50 , pp. 3649
- Caves, T.C.¹ Karplus, M.²

58
- 33645884478
- (Macmillan, New York)
- (1982) Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory , pp. 139
- Szabo, A.¹ Ostlund, N.S.²

59
- 0001706994
- (1970) Chem. Phys. Lett. , vol.5 , pp. 260
- Moccia, R.¹

60
- 0010891903
- edited by K. P. Lawley (Wiley, Chichester, Great Britain)
- (1987) Ab initio Methods in Quantum Chemistry Part I
- Amos, R.D.¹

61
- 0000804004
- (1987) J. Chem. Phys. , vol.87 , pp. 502
- Salter, E.A.¹ Sekino, H.² Bartlett, R.J.³

62
- 85034897852
- (in press)
- Chem. Phys. Lett.
- Trucks, G.¹ Salter, E.A.² Watts, J.³ Bartlett, R.J.⁴

63
- 0001999486
- This paper erroneously states that XCC (4) and XCC (5) satisfy the generalized Hellman-Feynman theorem exactly instead of just to fourth and fifth order. See Ref. 41 for correction
- (1988) Chem. Phys. Lett. , vol.150 , pp. 29
- Bartlett, R.J.¹ Noga, J.²

64
- 85034891964
- (in press)
- Chem. Phys. Lett.
- Bartlett, R.J.¹ Noga, J.²

65
- 4243702178
- (1988) Chem. Phys. Lett. , vol.150 , pp. 37
- Trucks, G.¹ Salter, E.A.² Noga, J.³ Bartlett, R.J.⁴

66
- 85034904355
- (in press).
- J. Mol. Graph
- Sosa, C.¹ Trucks, G.² Purvis, G.D.³ Bartlett, R.J.⁴

67
- 85034905909
- See AIP document no.PAPS-JCPSA-90-1752-43 for 43 pages of detailed coupled-cluster first and second derivative expressions. Order by PAPS number and journal reference from American Institute of Physics, Physics Auxiliary Publication Service, 335 East 45th Street, New York, NY 10017. The price is$1.50 for each microfiche (98 pages) or $5.00 for photocopies of up to 30 pages, and $0.15 for each additional page over 30 pages. Airmail additional. Make checks payable to the American Institute of Physics.

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.