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Journal of Computational Chemistry

Volumn 17, Issue 12, 1996, Pages 1431-1443

Accurate estimation of correlation energies using locally dense basis sets

(2) Chesnut, D B a Byrd, E F C a

a DUKE UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0043144731 PISSN: 01928651 EISSN: None Source Type: Journal
DOI: 10.1002/(sici)1096-987x(199609)17:12<1431::aid-jcc4>3.3.co;2-y Document Type: Article

Times cited : (6)

References (58)

1
- 84988097454
- D. B. Chesnut and K. D. Moore, J. Comput. Chem., 10, 648 (1989).
- (1989) J. Comput. Chem. , vol.10 , pp. 648
- Chesnut, D.B.¹ Moore, K.D.²

2
- 0000588279
- D. B. Chesnut, B. E. Rusiloski, K. D. Moore, and D. A. Egolf, J. Comp. Chem., 14, 1364 (1993).
- (1993) J. Comp. Chem. , vol.14 , pp. 1364
- Chesnut, D.B.¹ Rusiloski, B.E.² Moore, K.D.³ Egolf, D.A.⁴

3
- 6944251055
- C. MØller and M. S. Plesset, Phys. Rev., 46, 618 (1934).
- (1934) Phys. Rev. , vol.46 , pp. 618
- Møller, C.¹ Plesset, M.S.²

4
- 25044455217
- M. Head-Gordon, J. A. Pople, and M. J. Frisch, Chem. Phys. Lett., 153, 503 (1988).
- (1988) Chem. Phys. Lett. , vol.153 , pp. 503
- Head-Gordon, M.¹ Pople, J.A.² Frisch, M.J.³

5
- 0001006433
- M. J. Frisch, M. Head-Gordon, and J. A. Pople, Chem. Phys. Lett., 166, 275 (1990).
- (1990) Chem. Phys. Lett. , vol.166 , pp. 275
- Frisch, M.J.¹ Head-Gordon, M.² Pople, J.A.³

6
- 0004214970
- M. J. Frisch, M. Head-Gordon, and J. A. Pople, Chem. Phys. Lett., 166, 281 (1990).
- (1990) Chem. Phys. Lett. , vol.166 , pp. 281
- Frisch, M.J.¹ Head-Gordon, M.² Pople, J.A.³

7
- 0001392512
- J. Cizek, J. Chem. Phys., 45, 4256 (1966).
- (1966) J. Chem. Phys. , vol.45 , pp. 4256
- Cizek, J.¹

8
- 0001802479
- J. Cizek, Adv. Chem. Phys., 14, 35 (1969).
- (1969) Adv. Chem. Phys. , vol.14 , pp. 35
- Cizek, J.¹

9
- 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

10
- 36549098398
- G. E. Scuseria, C. L. Janssen, and H. F. Schaefer, III, J. Chem. Phys., 89, 7382 (1988).
- (1988) J. Chem. Phys. , vol.89 , pp. 7382
- Scuseria, G.E.¹ Janssen, C.L.² Schaefer III, H.F.³

11
- 36549094556
- G. E. Scuseria and H. F. Schaefer, III, J. Chem. Phys., 90, 3700 (1989).
- (1989) J. Chem. Phys. , vol.90 , pp. 3700
- Scuseria, G.E.¹ Schaefer III, H.F.²

12
- 0011682081
- J. A. Pople, M. Head-Gordon, and K. Raghavachari, J. Chem. Phys., 87, 5968 (1987).
- (1987) J. Chem. Phys. , vol.87 , pp. 5968
- Pople, J.A.¹ Head-Gordon, M.² Raghavachari, K.³

13
- 0011682081
- J. A. Pople, M. Head-Gordon, and K. Raghavachari, J. Chem. Phys., 87, 5968 (1987).
- (1987) J. Chem. Phys. , vol.87 , pp. 5968
- Pople, J.A.¹ Head-Gordon, M.² Raghavachari, K.³

14
- 0000584708
- K. A. Brueckner, Phys. Rev., 96, 508 (1954).
- (1954) Phys. Rev. , vol.96 , pp. 508
- Brueckner, K.A.¹

15
- 0001126914
- N. C. Handy, J. A. Pople, M. Head-Gordon, K. Raghavachari, and G. W. Trucks, Chem. Phys. Lett., 164, 185 (1989).
- (1989) Chem. Phys. Lett. , vol.164 , pp. 185
- Handy, N.C.¹ Pople, J.A.² Head-Gordon, M.³ Raghavachari, K.⁴ Trucks, G.W.⁵

16
- 0003569570
- Oxford University Press, New York
- R. G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules, Oxford University Press, New York, 1989.
- (1989) Density Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

17
- 84873055189
- Wiley, New York
- W. J. Hehre, L. Radom, P.v. R. Schleyer, and J. A. Pople, Ab Initio Molecular Orbital Theory, Wiley, New York, 1986.
- (1986) Ab Initio Molecular Orbital Theory
- Hehre, W.J.¹ Radom, L.² Schleyer, P.V.R.³ Pople, J.A.⁴

18
- 0000718145
- M. L. McKee and W. N. Lipscomb, J. Am. Chem. Soc., 103, 4673 (1981).
- (1981) J. Am. Chem. Soc. , vol.103 , pp. 4673
- McKee, M.L.¹ Lipscomb, W.N.²

19
- 48749146081
- J. V. Ortiz and W. N. Lipscomb, Chem. Phys. Lett., 103, 59 (1983).
- (1983) Chem. Phys. Lett. , vol.103 , pp. 59
- Ortiz, J.V.¹ Lipscomb, W.N.²

20
- 0001029373
- R. H. Nobes, W. J. Bouma, and L. Radom, Chem. Phys. Lett., 89, 497 (1982).
- (1982) Chem. Phys. Lett. , vol.89 , pp. 497
- Nobes, R.H.¹ Bouma, W.J.² Radom, L.³

21
- 36549094943
- J. A. Pople, M. Head-Gordon, D. J. Fox, K. Raghavachari, and L. A. Curtiss, J. Chem. Phys., 90, 5622 (1989).
- (1989) J. Chem. Phys. , vol.90 , pp. 5622
- Pople, J.A.¹ Head-Gordon, M.² Fox, D.J.³ Raghavachari, K.⁴ Curtiss, L.A.⁵

22
- 0000664876
- L. A. Curtiss, C. Jones, G. W. Trucks, K. Raghavachari, and J. A. Pople, J. Chem. Phys., 93, 2537 (1990).
- (1990) J. Chem. Phys. , vol.93 , pp. 2537
- Curtiss, L.A.¹ Jones, C.² Trucks, G.W.³ Raghavachari, K.⁴ Pople, J.A.⁵

23
- 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

24
- 36449002507
- L. A. Curtiss, K. Raghavachari, and J. A. Pople, J. Chem. Phys., 98, 1293 (1993).
- (1993) J. Chem. Phys. , vol.98 , pp. 1293
- Curtiss, L.A.¹ Raghavachari, K.² Pople, J.A.³

25
- 36449002592
- L. A. Curtiss, J. E. Carpenter, K. Raghavachan, and J. A. Pople, J. Chem. Phys., 96, 9030 (1992).
- (1992) J. Chem. Phys. , vol.96 , pp. 9030
- Curtiss, L.A.¹ Carpenter, J.E.² Raghavachan, K.³ Pople, J.A.⁴

26
- 0343698315
- S. Saebo and P. Pulay, Ann. Rev. Phys. Chem., 44, 213 (1993).
- (1993) Ann. Rev. Phys. Chem. , vol.44 , pp. 213
- Saebo, S.¹ Pulay, P.²

27
- 0010852855
- C. E. Dykstra and B. Kirtman, Ann. Rev. Phys. Chem., 41, 155 (1990).
- (1990) Ann. Rev. Phys. Chem. , vol.41 , pp. 155
- Dykstra, C.E.¹ Kirtman, B.²

28
- 5244307985
- G. A. Webb, Ed., Academic Press, New York
- D. B. Chesnut, In Annual Reports on NMR Spectroscopy, G. A. Webb, Ed., Academic Press, New York, 1994, Vol. 29.
- (1994) Annual Reports on NMR Spectroscopy , vol.29
- Chesnut, D.B.¹

29
- 0004169633
- K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York
- D. B. Chesnut, In Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1996.
- (1996) Reviews in Computational Chemistry
- Chesnut, D.B.¹

30
- 26844534384
- R. Krishman, J. S. Binkley, R. Seeger, and J. A. Pople, J. Chem. Phys., 72, 650 (1980).
- (1980) J. Chem. Phys. , vol.72 , pp. 650
- Krishman, R.¹ Binkley, J.S.² Seeger, R.³ Pople, J.A.⁴

31
- 36549091139
- M. J. Frisch, J. A. Pople, and J. S. Binkley, J. Chem. Phys., 80, 3265 (1984).
- (1984) J. Chem. Phys. , vol.80 , pp. 3265
- Frisch, M.J.¹ Pople, J.A.² Binkley, J.S.³

32
- 2442617487
- J. S. Binkley, J. A. Pople, and W. J. Hehre, J. Am. Chem. Soc., 102, 939 (1980).
- (1980) J. Am. Chem. Soc. , vol.102 , pp. 939
- Binkley, J.S.¹ Pople, J.A.² Hehre, W.J.³

33
- 0006149631
- D. B. Chesnut and C. G. Phung, Chem. Phys. Lett., 183, 505 (1991).
- (1991) Chem. Phys. Lett. , vol.183 , pp. 505
- Chesnut, D.B.¹ Phung, C.G.²

34
- 0003490993
- J. A. Tossell, Ed., NATO ASI Series, Kluwer Academic Publishers, Norwell, MA
- D. B. Chesnut and C. G. Phung, In Nuclear Magnetic Shieldings and Molecular Structure, J. A. Tossell, Ed., NATO ASI Series, Kluwer Academic Publishers, Norwell, MA, 1993.
- (1993) Nuclear Magnetic Shieldings and Molecular Structure
- Chesnut, D.B.¹ Phung, C.G.²

35
- 0001439269
- J. F. Hinton, P. Guthrie, P. Pulay, and K. Wolinski, J. Am. Chem. Soc., 114, 1604 (1992).
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 1604
- Hinton, J.F.¹ Guthrie, P.² Pulay, P.³ Wolinski, K.⁴

36
- 0027308278
- A. C. de Dios, J. G. Pearson, and E. Oldfield, Science, 260, 1491 (1993).
- (1993) Science , vol.260 , pp. 1491
- De Dios, A.C.¹ Pearson, J.G.² Oldfield, E.³

37
- 0000945904
- H. Huber, Chem. Phys. Lett., 112, 133 (1984).
- (1984) Chem. Phys. Lett. , vol.112 , pp. 133
- Huber, H.¹

38
- 0001598568
- H. Huber and P. Diehl, Mol. Phys., 54, 725 (1985).
- (1985) Mol. Phys. , vol.54 , pp. 725
- Huber, H.¹ Diehl, P.²

39
- 0001300547
- H. Huber, J. Chem. Phys., 83, 4591 (1985).
- (1985) J. Chem. Phys. , vol.83 , pp. 4591
- Huber, H.¹

40
- 36549093305
- R. S. Grev and H. F. Schaefer, III, J. Chem. Phys., 91, 7305 (1989).
- (1989) J. Chem. Phys. , vol.91 , pp. 7305
- Grev, R.S.¹ Schaefer III, H.F.²

41
- 5244240362
- D. B. Chesnut and K. D. Moore, J. Chem. Phys., 96, 7188 (1992).
- (1992) J. Chem. Phys. , vol.96 , pp. 7188
- Chesnut, D.B.¹ Moore, K.D.²

42
- 0004133516
- Gaussian Inc., Pittsburgh, PA
- 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. Comperts, 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, Gaussian94, Revision A1, Gaussian Inc., Pittsburgh, PA, 1995.
- (1995) Gaussian94, Revision a1
- 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..

43
- 0000533004
- R. J. Bartlett, J. Phys. Chem., 93, 1697 (1989).
- (1989) J. Phys. Chem. , vol.93 , pp. 1697
- Bartlett, R.J.¹

44
- 0002958641
- K. Raghavachari, Ann. Rev. Phys. Chem., 42, 615 (1991).
- (1991) Ann. Rev. Phys. Chem. , vol.42 , pp. 615
- Raghavachari, K.¹

45
- 0000189651
- A. D. Becke, J. Chem. Phys., 98, 5648 (1993).
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

46
- 4243553426
- A. D. Becke, Phys. Rev. A, 38, 3098 (1988).
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

47
- 0345491105
- C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B, 37, 785 (1988).
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

48
- 0000712790
- P. M. W. Gill, B. G. Johnson, J. A. Pople, and M. J. Frisch, Chem. Phys. Lett., 197, 499 (1992).
- (1992) Chem. Phys. Lett. , vol.197 , pp. 499
- Gill, P.M.W.¹ Johnson, B.G.² Pople, J.A.³ Frisch, M.J.⁴

49
- 84990673642
- P. M. W. Gill, B. G. Johnson, J. A. Pople, and M. J. Frisch, Int. J. Quantum Chem. Symp., 26, 319 (1992).
- (1992) Int. J. Quantum Chem. Symp. , vol.26 , pp. 319
- Gill, P.M.W.¹ Johnson, B.G.² Pople, J.A.³ Frisch, M.J.⁴

50
- 0000671789
- C. W. Murray, G. J. Laming, N. C. Handy, and R. D. Amos, Chem. Phys. Lett., 199, 551 (1992).
- (1992) Chem. Phys. Lett. , vol.199 , pp. 551
- Murray, C.W.¹ Laming, G.J.² Handy, N.C.³ Amos, R.D.⁴

51
- 16444375810
- B. G. Johnson, P. M. W. Gill, and J. A. Pople, J. Chem. Phys., 98, 5612 (1993).
- (1993) J. Chem. Phys. , vol.98 , pp. 5612
- Johnson, B.G.¹ Gill, P.M.W.² Pople, J.A.³

52
- 19944405222
- Springer, Berlin
- K. H. Hellwege, Ed., Landolt-Börnstein, Zahlenwerte and Functionen, New Series II / 7, Springer, Berlin, 1976.
- (1976) Landolt-Börnstein, Zahlenwerte and Functionen, New Series II / 7
- Hellwege, K.H.¹

53
- 25344450852
- S. J. Chakravorty, S. R. Gwaltney, E. R. Davidson, F. A. Parpia, and C. F. Fischer, Phys. Rev. A, 47, 3649 (1993).
- (1993) Phys. Rev. A , vol.47 , pp. 3649
- Chakravorty, S.J.¹ Gwaltney, S.R.² Davidson, E.R.³ Parpia, F.A.⁴ Fischer, C.F.⁵

54
- 6144260420
- C. J. Umrigar and X. Gonze, Phys. Rev. A, 50, 3827 (1994).
- (1994) Phys. Rev. A , vol.50 , pp. 3827
- Umrigar, C.J.¹ Gonze, X.²

55
- 0347007668
- D. Feller, J. Chem. Phys., 96, 6104 (1992).
- (1992) J. Chem. Phys. , vol.96 , pp. 6104
- Feller, D.¹

56
- 36449009589
- D. Feller, J. Chem. Phys., 98, 7059 (1993).
- (1993) J. Chem. Phys. , vol.98 , pp. 7059
- Feller, D.¹

57
- 33746614482
- T. H. Dunning, Jr., J. Chem. Phys., 90, 1007 (1989).
- (1989) J. Chem. Phys. , vol.90 , pp. 1007
- Dunning Jr., T.H.¹

58
- 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 Jr., T.H.² Harrison, R.J.³

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