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Journal of Molecular Structure: THEOCHEM

Volumn 547, Issue 1-3, 2001, Pages 253-267

Towards a general multireference coupled cluster method: Automated implementation of open-shell CCSD method for doublet states

(2) Nooijen, Marcel a Lotrich, Victor a

a PRINCETON UNIVERSITY (United States)

Author keywords

Automated implementation; Coupled cluster; Electron correlation; Internally contracted; Multi reference; Open shell

Indexed keywords

ARTICLE; AUTOMATION; CLUSTER ANALYSIS; MOLECULAR DYNAMICS;

EID: 0035939372 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(01)00475-4 Document Type: Article

Times cited : (68)

References (99)

1
- 49749176027
- (1958) Nucl. Phys. , vol.7 , pp. 421
- Coester, F.¹

2
- 50549159570
- (1960) Nucl. Phys. , vol.7 , pp. 477
- Coester, F.¹ Kummel, H.²

3
- 0001392512
- (1966) J. Chem. Phys. , vol.45 , pp. 4256
- Cizek, J.¹

4
- 0001802479
- (1969) Adv. Chem. Phys. , vol.14 , pp. 35
- Cizek, J.¹

5
- 84962534251
- (1994) Rev. Comp. Chem. , vol.5 , pp. 65
- Bartlett, R.J.¹ Stanton, J.F.²

6
- 0002560360
- S.R. Langhoff (Ed.), Kluwer Academic Publishers, Dordrecht
- (1995) Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy , pp. 47
- Lee, T.J.¹ Scuseria, G.E.²

7
- 0009621298
- D.R. Yarkony (Ed.), World Scientific, Singapore
- (1995) Advanced Series in Physical Chemistry
- Bartlett, R.J.¹

8
- 0001599654
- (1989) Adv. Quantum Chem. , vol.20 , pp. 292
- Mukherjee, D.¹ Pal, S.²

9
- 0000738543
- G.L. Malli (Ed.), Plenum Press, New York
- (1994) Relativistic and Electron correlation effects in Molecules and Solids , pp. 207
- Paldus, J.¹

10
- 22844457256
- (1999) Adv. Chem. Phys. , vol.110 , pp. 1
- Paldus, J.¹ Li, X.²

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

12
- 77956764538
- (1977) Mol. Phys. , vol.33 , pp. 955
- Mukherjee, D.¹ Moitra, R.K.² Mukhopadhyay, A.³

13
- 0000198328
- (1979) Chem. Phys. , vol.39 , pp. 325
- Mukherjee, D.¹ Mukherjee, P.K.²

14
- 0001212624
- (1990) J. Chem. Phys. , vol.93 , pp. 3345
- Koch, H.¹ Jensen, H.A.² Jørgensen, P.³ Helgaker, T.⁴

15
- 36449002657
- (1995) J. Chem. Phys. , vol.103 , pp. 7429
- Christiansen, O.¹ Koch, H.² Jørgensen, P.³

16
- 0042863097
- (1978) J. Chem. Phys. , vol.69 , pp. 4535
- Nakatsuji, H.¹ Hirao, K.²

17
- 0001432941
- (1996) J. Chem. Phys. , vol.104 , pp. 2321
- Nakatsuji, H.¹ Hasegawa, J.² Hada, M.³

18
- 36448999950
- (1993) J. Chem. Phys. , vol.98 , pp. 7029
- Stanton, J.F.¹ Bartlett, R.J.²

19
- 0000419214
- (1997) J. Chem. Phys. , vol.106 , pp. 6051
- Del Bene, J.E.¹ Watts, J.D.² Bartlett, R.J.³

20
- 36449009471
- (1994) J. Chem. Phys. , vol.100 , pp. 4695
- Stanton, J.F.¹ Gauss, J.²

21
- 0000622320
- (1994) J. Chem. Phys. , vol.101 , pp. 356
- Stanton, J.F.¹ Huang, C.-M.² Szalay, P.G.³

22
- 34249758598
- (1995) Theor. Chim. Acta , vol.91 , pp. 267
- Stanton, J.F.¹ Gauss, J.²

23
- 0000249531
- (1999) J. Chem. Phys. , vol.111 , pp. 525
- Christiansen, O.¹ Gauss, J.² Stanton, J.F.³ Jorgensen, P.⁴

24
- 0003036001
- (1978) Int. J. Quantum Chem. Symp. , vol.12 , pp. 33
- Lindgren, I.¹

25
- 0003473266
- Springer, Berlin
- (1982) Atomic Many-Body Theory
- Lindgren, I.¹ Morrison, J.²

26
- 0000575769
- (1985) Phys. Rev. A , vol.32 , pp. 725
- Stolarczyk, L.¹ Monkhorst, H.J.²

27
- 0002991028
- (1987) Phys. Rep. , vol.151 , pp. 93
- Lindgren, I.¹ Mukherjee, D.²

28
- 0001184207
- (1989) J. Chem. Phys. , vol.90 , pp. 2714
- Jeziorski, B.¹ Paldus, J.²

29
- 0000094026
- (1987) Chem. Phys. Lett. , vol.137 , pp. 273
- Pal, S.¹ Rittby, M.² Bartlett, R.J.³ Sinha, D.⁴ Mukherjee, D.⁵

30
- 36549091373
- (1988) J. Chem. Phys. , vol.88 , pp. 4357
- Pal, S.¹ Rittby, M.² Bartlett, R.J.³ Sinha, D.⁴ Mukherjee, D.⁵

31
- 0001486224
- (1991) Theor. Chim. Acta. , vol.80 , pp. 469
- Rittby, C.L.M.¹ Bartlett, R.J.²

32
- 0001698659
- (1992) J. Chem. Phys. , vol.97 , pp. 5560
- Stanton, J.F.¹ Bartlett, R.J.² Rittby, C.M.L.³

33
- 0000038504
- (1990) Chem. Phys. Lett. , vol.166 , pp. 599
- Kaldor, U.¹

34
- 33646852587
- (1991) Theor. Chim. Acta , vol.80 , pp. 427
- Kaldor, U.¹

35
- 0000197688
- (1997) J. Chem. Phys. , vol.106 , pp. 6441
- Nooijen, M.¹ Bartlett, R.J.²

36
- 2342477458
- (1997) J. Chem. Phys. , vol.106 , pp. 6449
- Nooijen, M.¹ Bartlett, R.J.²

37
- 0009512888
- (1997) J. Chem. Phys. , vol.107 , pp. 6812
- Nooijen, M.¹ Bartlett, R.J.²

38
- 0001194210
- (1999) Spectrochim. Acta A , vol.55 , pp. 539
- Nooijen, M.¹

39
- 0001217483
- (1998) J. Chem. Phys. , vol.108 , pp. 6790
- Gwaltney, S.R.¹ Bartlett, R.J.²

40
- 0000797666
- (2000) J. Chem. Phys. , vol.113 , pp. 4553
- Nooijen, M.¹ Lotrich, V.²

41
- 0000797666
- (2000) J. Phys. Chem. A , vol.104 , pp. 4553
- Nooijen, M.¹

42
- 0001912801
- (1999) J. Chem. Phys. , vol.111 , pp. 58
- Gwaltney, S.R.¹ Bartlett, R.J.² Nooijen, M.³

43
- 0004481117
- submitted for publication
- (2001)
- Wladyslawckid, M.¹ Nooijen, M.²

44
- 36749120359
- (1977) J. Chem. Phys. , vol.67 , pp. 303
- Paldus, J.¹

45
- 84990634408
- (1989) Int. J. Quantum Chem. , vol.36 , pp. 429
- Piecuch, P.¹ Paldus, J.²

46
- 34249920661
- (1991) Theor. Chim. Acta , vol.79 , pp. 1
- Janssen, C.L.¹ Schaefer, H.F.²

47
- 36449009654
- (1992) J. Chem. Phys. , vol.97 , pp. 5074
- Neogrady, P.¹ Urban, M.² Hubac, I.³

48
- 25544441892
- (1993) J. Chem. Phys. , vol.100 , pp. 3706
- Neogrady, P.¹ Urban, M.² Hubac, I.³

49
- 36449001370
- (1993) J. Chem. Phys. , vol.99 , pp. 5219
- Knowles, P.J.¹ Hampel, C.² Werner, H.J.³

50
- 0000552476
- (1992) Chem. Phys. Lett. , vol.199 , pp. 211
- Jayatilaka, D.¹ Lee, T.J.²

51
- 0011702661
- (1993) J. Chem. Phys. , vol.98 , pp. 9734
- Jayatilaka, D.¹ Lee, T.J.²

52
- 0000429996
- (1997) J. Chem. Phys. , vol.107 , pp. 9028
- Szalay, P.G.¹ Gauss, J.²

53
- 0001041488
- (2000) J. Chem. Phys. , vol.112 , pp. 4027
- Szalay, P.G.¹ Gauss, J.²

54
- 35949018809
- (1981) Phys. Rev. A , vol.24 , pp. 1668
- Jeziorski, B.¹ Monkhorst, H.²

55
- 4244103490
- (1993) Phys. Rev. A , vol.49 , pp. 2738
- Paldus, J.¹ Piecuch, P.² Pylypow, L.³ Jeziorski, B.⁴

56
- 0000836282
- (1993) Phys. Rev. A , vol.49 , pp. 3479
- Piecuch, P.¹ Paldus, J.²

57
- 0001743489
- (1991) Theor. Chim. Acta , vol.80 , pp. 335
- Balkova, A.¹ Kucharski, S.A.² Meissner, L.³ Bartlett, R.J.⁴

58
- 0000604462
- (1992) Chem. Phys. Lett. , vol.193 , pp. 364
- Balkova, A.¹ Bartlett, R.J.²

59
- 0343780436
- (2000) Phys. Rev. A , vol.61 , pp. 052506
- Kowalski, K.¹ Piecuch, P.²

60
- 0034323052
- (2000) Int. J. Quantum Chem. Symp. , vol.80 , pp. 757
- Kowalski, P.P.A.K.¹

61
- 4243603481
- (1992) J. Chem. Phys. , vol.96 , pp. 3739
- Oliphant, N.¹ Adamowicz, L.²

62
- 0000369089
- (1993) J. Chem. Phys. , vol.99 , pp. 1875
- Piecuch, P.¹ Oliphant, N.² Adamowicz, L.³

63
- 0000648654
- (1994) J. Chem. Phys. , vol.100 , pp. 5792
- Piecuch, P.¹ Adamowicz, L.²

64
- 0000532148
- (1998) J. Chem. Phys. , vol.110 , pp. 6103
- Piecuch, P.¹ Kucharski, S.² Bartlett, B.³

65
- 0000776009
- (1999) J. Chem. Phys. , vol.111 , pp. 6679
- Piecuch, P.¹ Kucharski, S.A.² Spirko, V.³

66
- 0034319823
- (2000) J. Chem. Phys. , vol.113 , pp. 8503
- Ivanov, V.V.¹ Adamowicz, L.²

67
- 0033700799
- (2000) J. Chem. Phys. , vol.112 , pp. 9258
- Ivanov, V.V.¹ Adamowicz, L.²

68
- 0033688914
- (2000) J. Chem. Phys. , vol.112 , pp. 10075
- Adamowicz, L.¹ Malrieu, J.P.² Ivanov, V.V.³

69
- 0043056481
- (1999) J. Chem. Phys. , vol.110 , pp. 6171
- Mahapatra, U.S.¹ Datta, B.² Mukherjee, D.³

70
- 0041360201
- (1999) J. Phys. Chem. A , vol.103 , pp. 1822
- Mahapatra, U.S.¹ Datta, B.² Mukherjee, D.³

71
- 0001646967
- (1998) J. Chem. Phys. , vol.108 , pp. 6571
- Masik, J.¹ Hubac, I.² Mach, P.³

72
- 0001832427
- (1999) Adv. Quantum Chem. , vol.31 , pp. 75
- Masik, J.¹ Hubac, I.²

73
- 0000401068
- (1999) J. Chem. Phys. , vol.110 , pp. 10275
- Pittner, J.¹ Nachtigall, P.² Carsky, P.³ Masik, J.⁴ Hubac, I.⁵

74
- 0012126914
- (1975) Adv. Quantum Chem. , vol.9 , pp. 105
- Paldus, J.¹ Cizek, J.²

75
- 0002232881
- S. Wilson, G.H.F. Diercksen (Eds.), Plenum Press, New York
- (1992) NATO ASI Series , vol.293 , pp. 99
- Paldus, J.¹

76
- 0346900424
- (1997) J. Chem. Phys. , vol.107 , pp. 6257
- Li, X.¹ Paldus, J.²

77
- 0012021002
- (1998) J. Chem. Phys. , vol.108 , pp. 637
- Li, X.¹ Paldus, J.²

78
- 0004514207
- (1999) J. Chem. Phys. , vol.110 , pp. 2884
- Li, X.¹ Paldus, J.²

79
- 0034320011
- (2000) Int. J. Quantum Chem. Symp. , vol.80 , pp. 743
- Li, X.¹ Paldus, J.²

80
- 0000104134
- (2000) Adv. Quantum Chem. , vol.36 , pp. 231
- Li, X.Z.¹ Gabrowski, I.² Jankowski, K.³ Paldus, J.⁴

81
- 0000909561
- (2000) J. Chem. Phys. , vol.110 , pp. 2844
- Li, X.Z.¹ Paldus, J.²

82
- 0034506256
- (2000) J. Chem. Phys. , vol.22 , pp. 9966
- Li, X.Z.¹ Paldus, J.²

83
- 0001495999
- (1984) Phys. Rev. A , vol.30 , pp. 2193
- Paldus, J.¹ Cizek, J.² Takahashi, M.³

84
- 0001507533
- (1996) Phys. Rev. A. , vol.54 , pp. 1210
- Piecuch, P.¹ Tobola, R.² Paldus, J.³

85
- 36449006391
- (1994) J. Chem. Phys. , vol.101 , pp. 8812
- Li, X.¹ Paldus, J.²

86
- 0001053585
- (1995) J. Chem. Phys. , vol.102 , pp. 2013
- Li, X.¹ Paldus, J.²

87
- 0000584783
- (1996) J. Chem. Phys. , vol.104 , pp. 9555
- Li, X.¹ Paldus, J.²

88
- 0000651488
- (1996) J. Chem. Phys. , vol.104 , pp. 2652
- Nooijen, M.¹ Bartlett, R.J.²

89
- 0000470754
- (1996) J. Chem. Phys. , vol.104 , pp. 2638
- Nooijen, M.¹

90
- 36749104944
- (1981) J. Chem. Phys. , vol.77 , pp. 3081
- Kutzelnigg, W.¹

91
- 18344377603
- (1989) Chem. Phys. Lett. , vol.154 , pp. 544
- Sinha, D.¹ Mukhopadhyay, S.K.² Chaudhuri, R.³ Mukherjee, D.⁴

92
- 0034269419
- (2000) J. Chem. Phys. , vol.113 , pp. 4549
- Nooijen, M.¹ Lotrich, V.²

93
- 0004458221
- ACES II is a program product of the Quantum Theory project, University of Florida. Integral packages included are VMOL (J. Almlof, P.R. Taylor), VPROPS (P.R. Taylor), ABACUS, (T. Helgaker, H.J. Aa Jensen, P. Jorgensen, P.R. Taylor)
- Stanton, J.F.¹ Gauss, J.² Watts, J.D.³ Nooijen, M.⁴ Oliphant, N.⁵ Perera, S.A.⁶ Szalay, P.G.⁷ Lauderdale, W.J.⁸ Gwaltney, S.R.⁹ Beck, S.¹⁰ Balkova, A.¹¹ Bernholdt, D.E.¹² Baeck, K.-K.¹³ Rozyczko, P.¹⁴ Sekino, H.¹⁵ Huber, C.¹⁶ Bartlett, R.J.¹⁷

94
- 84962534251
- (1994) Rev. Comp. Chem. , vol.5 , pp. 65
- Bartlett, R.J.¹ Stanton, J.F.²

95
- 84986524957
- (1980) Chem. Phys. Lett. , vol.73 , pp. 393
- Pulay, P.¹

96
- 44349162071
- (1982) J. Comput. Chem. , vol.3 , pp. 556
- Pulay, P.¹

97
- 84990669584
- (1992) Int. J. Quantum Chem. Symp. , vol.26 , pp. 879
- Stanton, J.F.¹ Gauss, J.² Watts, J.D.³ Lauderdale, W.J.⁴ Bartlett, R.J.⁵

98
- 0004534421
- (1991) Theor. Chim. Acta , vol.79 , pp. 23
- Sadlej, A.¹

99
- 0000835501
- (1995) J. Chem. Phys. , vol.102 , pp. 3629
- Nooijen, M.¹ Bartlett, R.J.²

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