SCOPUS 정보 검색 플랫폼

Journal of Chemical Physics

Volumn 112, Issue 21, 2000, Pages 9213-9222

Is Moller - Plesset perturbation theory a convergent ab initio method?

(4) Leininger, Matthew L a,c Allen, Wesley D a Schaefer III, Henry F a Sherrill, C David b

a UNIVERSITY OF GEORGIA (United States)

b GEORGIA INSTITUTE OF TECHNOLOGY (United States)

c SANDIA NATIONAL LABORATORIES (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; COMPUTATIONAL METHODS; ELECTRONIC STRUCTURE; MATRIX ALGEBRA; MOLECULES; NUMERICAL METHODS; PARTIAL DIFFERENTIAL EQUATIONS; PERTURBATION TECHNIQUES;

FULL CONFIGURATION INTERACTION; HAMILTONIAN MATRIX; MOLLER-PLESSET PERTURBATION THEORY; RAYLEIGH-SCHRODINGER PERTURBATION THEORY;

ELECTRON EMISSION;

EID: 0033723572 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.481764 Document Type: Article

Times cited : (132)

References (62)

1
- 0344980861
- K. Raghavachari, J. A. Pople, E. S. Replogle, and M. Head-Gordan, J. Phys. Chem. 94, 5579 (1990).
- (1990) J. Phys. Chem. , vol.94 , pp. 5579
- Raghavachari, K.¹ Pople, J.A.² Replogle, E.S.³ Head-Gordan, M.⁴

2
- 0004133516
- Gaussian, Inc., Pittsburg, PA
- GAUSSIAN 94, Revision C.3, M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople (Gaussian, Inc., Pittsburg, PA, 1995).
- (1995) Gaussian 94, Revision C.3
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³ Gill, P.M.W.⁴ Johnson, B.G.⁵ Robb, M.A.⁶ Cheeseman, J.R.⁷ Keith, T.⁸ Petersson, G.A.⁹ Montgomery, J.A.¹⁰ Raghavachari, K.¹¹ Al-Laham, M.A.¹² Zakrzewski, V.G.¹³ Ortiz, J.V.¹⁴ Foresman, J.B.¹⁵ Cioslowski, J.¹⁶ Stefanov, B.B.¹⁷ Nanayakkara, A.¹⁸ Challacombe, M.¹⁹ Peng, C.Y.²⁰ more..

3
- 27844446559
- S. A. Kucharski and R. J. Bartlett, Chem. Phys. Lett. 237, 264 (1993).
- (1993) Chem. Phys. Lett. , vol.237 , pp. 264
- Kucharski, S.A.¹ Bartlett, R.J.²

4
- 0030123577
- D. Cremer and Z. He, J. Phys. Chem. 100, 6173 (1996).
- (1996) J. Phys. Chem. , vol.100 , pp. 6173
- Cremer, D.¹ He, Z.²

5
- 0003118672
- Z. He and D. Cremer, Int. J. Quantum Chem. 59, 15 (1996).
- (1996) Int. J. Quantum Chem. , vol.59 , pp. 15
- He, Z.¹ Cremer, D.²

6
- 0004486549
- Z. He and D. Cremer, Int. J. Quantum Chem. 59, 31 (1996).
- (1996) Int. J. Quantum Chem. , vol.59 , pp. 31
- He, Z.¹ Cremer, D.²

7
- 0002582005
- Z. He and D. Cremer, Int. J. Quantum Chem. 59, 57 (1996).
- (1996) Int. J. Quantum Chem. , vol.59 , pp. 57
- He, Z.¹ Cremer, D.²

8
- 0002712005
- Z. He and D. Cremer, Int. J. Quantum Chem. 59, 71 (1996).
- (1996) Int. J. Quantum Chem. , vol.59 , pp. 71
- He, Z.¹ Cremer, D.²

9
- 0001005257
- W. D. Laidig, G. Fitzgerald, and R. J. Bartlett, Chem. Phys. Lett. 113, 151 (1985).
- (1985) Chem. Phys. Lett. , vol.113 , pp. 151
- Laidig, W.D.¹ Fitzgerald, G.² Bartlett, R.J.³

10
- 46549095495
- P. J. Knowles, K. Somasundram, N. C. Handy, and K. Hirao, Chem. Phys. Lett. 113, 8 (1985).
- (1985) Chem. Phys. Lett. , vol.113 , pp. 8
- Knowles, P.J.¹ Somasundram, K.² Handy, N.C.³ Hirao, K.⁴

11
- 0002843026
- P. M. W. Gill and L. Radom, Chem. Phys. Lett. 132, 16 (1986).
- (1986) Chem. Phys. Lett. , vol.132 , pp. 16
- Gill, P.M.W.¹ Radom, L.²

12
- 0011959226
- N. C. Handy, P. J. Knowles, and K. Somasundram, Theor. Chim. Acta 68, 87 (1985).
- (1985) Theor. Chim. Acta , vol.68 , pp. 87
- Handy, N.C.¹ Knowles, P.J.² Somasundram, K.³

13
- 0000119421
- J. Olsen, O. Christiansen, H. Koch, and P. Jørgensen, J. Chem. Phys. 105, 5082 (1996).
- (1996) J. Chem. Phys. , vol.105 , pp. 5082
- Olsen, J.¹ Christiansen, O.² Koch, H.³ Jørgensen, P.⁴

14
- 16144366604
- O. Christiansen, J. Olsen, P. Jørgensen, H. Koch, and P. A. Malmqvist, Chem. Phys. Lett. 261, 369 (1996).
- (1996) Chem. Phys. Lett. , vol.261 , pp. 369
- Christiansen, O.¹ Olsen, J.² Jørgensen, P.³ Koch, H.⁴ Malmqvist, P.A.⁵

15
- 0001301251
- H. Larsen, A. Halkier, J. Olsen, and P. Jørgensen, J. Chem. Phys. 112, 1107 (2000).
- (2000) J. Chem. Phys. , vol.112 , pp. 1107
- Larsen, H.¹ Halkier, A.² Olsen, J.³ Jørgensen, P.⁴

16
- 0032022674
- T. H. Dunning, Jr. and K. A. Peterson, J. Chem. Phys. 108, 4761 (1998).
- (1998) J. Chem. Phys. , vol.108 , pp. 4761
- Dunning T.H., Jr.¹ Peterson, K.A.²

17
- 0001893938
- K. A. Peterson and T. H. Dunning, Jr., J. Mol. Struct. 400, 93 (1997).
- (1997) J. Mol. Struct. , vol.400 , pp. 93
- Peterson, K.A.¹ Dunning T.H., Jr.²

18
- 0029274159
- K. A. Peterson and T. H. Dunning, Jr., J. Phys. Chem. 99, 3898 (1995).
- (1995) J. Phys. Chem. , vol.99 , pp. 3898
- Peterson, K.A.¹ Dunning T.H., Jr.²

19
- 0000313862
- D. Feller and K. A. Peterson, J. Chem. Phys. 108, 154 (1998).
- (1998) J. Chem. Phys. , vol.108 , pp. 154
- Feller, D.¹ Peterson, K.A.²

20
- 0000269680
- L. A. Curtiss, P. C. Redfern, K. Raghavachari, and J. A. Pople, Chem. Phys. Lett. 313, 600 (1999).
- (1999) Chem. Phys. Lett. , vol.313 , pp. 600
- Curtiss, L.A.¹ Redfern, P.C.² Raghavachari, K.³ Pople, J.A.⁴

21
- 0041401966
- L. A. Curtiss, K. Raghavachari, G. W. Trucks, and J. A. Pople, J. Chem. Phys. 94, 7221 (1991).
- (1991) J. Chem. Phys. , vol.94 , pp. 7221
- Curtiss, L.A.¹ Raghavachari, K.² Trucks, G.W.³ Pople, J.A.⁴

22
- 0012154673
- L. A. Curtiss, K. Raghavachari, P. C. Redfern, V. Rassolov, and J. A. Pople, J. Chem. Phys. 109, 7764 (1998).
- (1998) J. Chem. Phys. , vol.109 , pp. 7764
- Curtiss, L.A.¹ Raghavachari, K.² Redfern, P.C.³ Rassolov, V.⁴ Pople, J.A.⁵

23
- 0003353250
- edited by K. K. Irikura and D. J. Frurip American Chemical Society, Washington, D. C.
- G. A. Petersson, in Computational Thermochemistry, Prediction and Estimation of Molecular Thermodynamics, edited by K. K. Irikura and D. J. Frurip (American Chemical Society, Washington, D. C., 1998), pp. 237-266.
- (1998) Computational Thermochemistry, Prediction and Estimation of Molecular Thermodynamics , pp. 237-266
- Petersson, G.A.¹

24
- 0001150282
- A. Halkier, H. Larsen, J. Olsen, and P. Jørgensen, J. Chem. Phys. 110, 7127 (1999).
- (1999) J. Chem. Phys. , vol.110 , pp. 7127
- Halkier, A.¹ Larsen, H.² Olsen, J.³ Jørgensen, P.⁴

25
- 84987142633
- I. Shavitt, Int. J. Quantum Chem., Symp. 11, 131 (1977).
- (1977) Int. J. Quantum Chem., Symp. , vol.11 , pp. 131
- Shavitt, I.¹

26
- 0002535964
- I. Shavitt, Int. J. Quantum Chem., Symp. 12, 5 (1978).
- (1978) Int. J. Quantum Chem., Symp. , vol.12 , pp. 5
- Shavitt, I.¹

27
- 0001206302
- B. R. Brooks and H. F. Schaefer, J. Chem. Phys. 70, 5092 (1979).
- (1979) J. Chem. Phys. , vol.70 , pp. 5092
- Brooks, B.R.¹ Schaefer, H.F.²

28
- 36749113768
- P. E. M. Siegbahn, J. Chem. Phys. 70, 5391 (1979).
- (1979) J. Chem. Phys. , vol.70 , pp. 5391
- Siegbahn, P.E.M.¹

29
- 0001249520
- N. C. Handy, Chem. Phys. Lett. 74, 280 (1980).
- (1980) Chem. Phys. Lett. , vol.74 , pp. 280
- Handy, N.C.¹

30
- 36749109030
- P. E. M. Siegbahn, J. Chem. Phys. 72, 1647 (1980).
- (1980) J. Chem. Phys. , vol.72 , pp. 1647
- Siegbahn, P.E.M.¹

31
- 0000471185
- P. Saxe, H. F. Schaefer, and N. C. Handy, Chem. Phys. Lett. 79, 202 (1981).
- (1981) Chem. Phys. Lett. , vol.79 , pp. 202
- Saxe, P.¹ Schaefer, H.F.² Handy, N.C.³

32
- 36749115379
- P. Saxe, D. J. Fox, H. F. Schaefer, and N. C. Handy, J. Chem. Phys. 77, 5584 (1982).
- (1982) J. Chem. Phys. , vol.77 , pp. 5584
- Saxe, P.¹ Fox, D.J.² Schaefer, H.F.³ Handy, N.C.⁴

33
- 0000280347
- P. E. M. Siegbahn, Chem. Phys. Lett. 109, 417 (1984).
- (1984) Chem. Phys. Lett. , vol.109 , pp. 417
- Siegbahn, P.E.M.¹

34
- 0001232986
- P. J. Knowles and N. C. Handy, Chem. Phys. Lett. 111, 315 (1984).
- (1984) Chem. Phys. Lett. , vol.111 , pp. 315
- Knowles, P.J.¹ Handy, N.C.²

35
- 0005079653
- J. Olsen, B. O. Roos, P. Joørgensen, and H. J. Aa. Jensen, J. Chem. Phys. 89, 2185 (1988).
- (1988) J. Chem. Phys. , vol.89 , pp. 2185
- Olsen, J.¹ Roos, B.O.² Joørgensen, P.³ Jensen, H.J.Aa.⁴

36
- 0000597214
- P. J. Knowles, Chem. Phys. Lett. 155, 513 (1989).
- (1989) Chem. Phys. Lett. , vol.155 , pp. 513
- Knowles, P.J.¹

37
- 0000691275
- P. J. Knowles and N. C. Handy, J. Chem. Phys. 91, 2396 (1989).
- (1989) J. Chem. Phys. , vol.91 , pp. 2396
- Knowles, P.J.¹ Handy, N.C.²

38
- 0000958877
- R. J. Harrison and S. Zarrabian, Chem. Phys. Lett. 158, 393 (1989).
- (1989) Chem. Phys. Lett. , vol.158 , pp. 393
- Harrison, R.J.¹ Zarrabian, S.²

39
- 0000832124
- A. Dalgarno and A. L. Stewart, Proc. R. Soc. London, Ser. A 238, 269 (1956).
- (1956) Proc. R. Soc. London, Ser. A , vol.238 , pp. 269
- Dalgarno, A.¹ Stewart, A.L.²

40
- 5344252679
- P. O. Löwdin, J. Math. Phys. 6, 1341 (1965).
- (1965) J. Math. Phys. , vol.6 , pp. 1341
- Löwdin, P.O.¹

41
- 0343595632
- note
- -1.

42
- 33746614482
- T. H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989).
- (1989) J. Chem. Phys. , vol.90 , pp. 1007
- Dunning T.H., Jr.¹

43
- 4143095330
- R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992).
- (1992) J. Chem. Phys. , vol.96 , pp. 6796
- Kendall, R.A.¹ Dunning T.H., Jr.² Harrison, R.J.³

44
- 3843146349
- D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 98, 1358 (1993).
- (1993) J. Chem. Phys. , vol.98 , pp. 1358
- Woon, D.E.¹ Dunning T.H., Jr.²

45
- 0000122016
- G. D. Purvis and R. J. Bartlett, J. Chem. Phys. 76, 1910 (1982).
- (1982) J. Chem. Phys. , vol.76 , pp. 1910
- Purvis, G.D.¹ Bartlett, R.J.²

46
- 36549098398
- G. E. Scuseria, C. L. Janssen, and H. F. Schaefer, J. Chem. Phys. 89, 7382 (1988).
- (1988) J. Chem. Phys. , vol.89 , pp. 7382
- Scuseria, G.E.¹ Janssen, C.L.² Schaefer, H.F.³

47
- 0006244148
- K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989).
- (1989) Chem. Phys. Lett. , vol.157 , pp. 479
- Raghavachari, K.¹ Trucks, G.W.² Pople, J.A.³ Head-Gordon, M.⁴

48
- 0000533004
- R. J. Bartlett, J. Phys. Chem. 93, 1697 (1989).
- (1989) J. Phys. Chem. , vol.93 , pp. 1697
- Bartlett, R.J.¹

49
- 36549094083
- Y. S. Lee, S. A. Kucharski, and R. J. Bartlett, J. Chem. Phys. 81, 5906 (1984).
- (1984) J. Chem. Phys. , vol.81 , pp. 5906
- Lee, Y.S.¹ Kucharski, S.A.² Bartlett, R.J.³

50
- 0004436739
- G. E. Scuseria and H. F. Schaefer, Chem. Phys. Lett. 152, 382 (1988).
- (1988) Chem. Phys. Lett. , vol.152 , pp. 382
- Scuseria, G.E.¹ Schaefer, H.F.²

51
- 0003418036
- edited by D. R. Yarkony World Scientific, Singapore
- R. J. Bartlett, in Modern Electronic Structure Theory, Vol. 1, edited by D. R. Yarkony (World Scientific, Singapore, 1995).
- (1995) Modern Electronic Structure Theory , vol.1
- Bartlett, R.J.¹

52
- 0004073321
- PSITECH, Inc., Watkinsville, GA
- C. L. Janssen, E. T. Seidl, G. E. Scuseria, T. P. Hamilton, Y. Yamaguchi, R. B. Remington, Y. Xie, G. Vacek, C. D. Sherrill, T. D. Crawford, J. T. Fermann, W. D. Allen, B. R. Brooks, G. B. Fitzgerald, D. J. Fox, J. F. Gaw, N. C. Handy, W. D. Laidig, T. J. Lee, R. M. Pitzer, J. E. Rice, P. Saxe, A. C. Scheiner, and H. F. Schaefer, PSI 2.0.8 (PSITECH, Inc., Watkinsville, GA, 1995).
- (1995) PSI 2.0.8
- Janssen, C.L.¹ Seidl, E.T.² Scuseria, G.E.³ Hamilton, T.P.⁴ Yamaguchi, Y.⁵ Remington, R.B.⁶ Xie, Y.⁷ Vacek, G.⁸ Sherrill, C.D.⁹ Crawford, T.D.¹⁰ Fermann, J.T.¹¹ Allen, W.D.¹² Brooks, B.R.¹³ Fitzgerald, G.B.¹⁴ Fox, D.J.¹⁵ Gaw, J.F.¹⁶ Handy, N.C.¹⁷ Laidig, W.D.¹⁸ Lee, T.J.¹⁹ Pitzer, R.M.²⁰ more..

53
- 77956755263
- edited by P.-O. Löwdin Academic, New York
- C. D. Sherrill and H. F. Schaefer, in Advances in Quantum Chemistry, edited by P.-O. Löwdin (Academic, New York, 1999), Vol. 34, p. 143.
- (1999) Advances in Quantum Chemistry , vol.34 , pp. 143
- Sherrill, C.D.¹ Schaefer, H.F.²

54
- 0032048430
- M. L. Leininger, C. D. Sherrill, W. D. Allen, and H. F. Schaefer, J. Chem. Phys. 108, 6717 (1998).
- (1998) J. Chem. Phys. , vol.108 , pp. 6717
- Leininger, M.L.¹ Sherrill, C.D.² Allen, W.D.³ Schaefer, H.F.⁴

55
- 0001935181
- T. J. Lee, J. E. Rice, G. E. Scuseria, and H. F. Schaefer, Theor. Chim. Acta 75, 81 (1989).
- (1989) Theor. Chim. Acta , vol.75 , pp. 81
- Lee, T.J.¹ Rice, J.E.² Scuseria, G.E.³ Schaefer, H.F.⁴

56
- 84990713479
- T. J. Lee and P. R. Taylor, Int. J. Quantum Chem., Symp. 23, 199 (1989).
- (1989) Int. J. Quantum Chem., Symp. , vol.23 , pp. 199
- Lee, T.J.¹ Taylor, P.R.²

57
- 84987069024
- J. D. Watts and R. J. Bartlett, Int. J. Quantum Chem. 28, 195 (1994).
- (1994) Int. J. Quantum Chem. , vol.28 , pp. 195
- Watts, J.D.¹ Bartlett, R.J.²

58
- 0342725724
- personal communication
- J. Olsen, personal communication.
- Olsen, J.¹

59
- 0000167905
- E. Feenberg, Phys. Rev. 103, 1116 (1956).
- (1956) Phys. Rev. , vol.103 , pp. 1116
- Feenberg, E.¹

60
- 0000655224
- B. Forsberg, Z. He, Y. He, and D. Cremer, Int. J. Quantum Chem. 76, 306 (2000).
- (2000) Int. J. Quantum Chem. , vol.76 , pp. 306
- Forsberg, B.¹ He, Z.² He, Y.³ Cremer, D.⁴

61
- 33645885520
- R. J. Bartlett and I. Shavitt, Chem. Phys. Lett. 50, 190 (1977).
- (1977) Chem. Phys. Lett. , vol.50 , pp. 190
- Bartlett, R.J.¹ Shavitt, I.²

62
- 0000839809
- D. Z. Goodson, J. Chem. Phys. 112, 4901 (2000).
- (2000) J. Chem. Phys. , vol.112 , pp. 4901
- Goodson, D.Z.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.