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36449001370
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R.J. Bartlett, Annu. Rev. Phys. Chem. 32 (1981) 359; K. Raghavachari, G.W. Trucks, J.A. Pople, M. Head-Gordon, Chem. Phys. Lett. 157 (1989) 479; P.J. Knowles, C. Hampel, H.-J. Werner, J. Chem. Phys. 99 (1993) 5219; J.D. Watts, J. Gauss, R.J. Bartlett, J. Chem. Phys. 98 (1993) 8718.
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36449006622
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R.J. Bartlett, Annu. Rev. Phys. Chem. 32 (1981) 359; K. Raghavachari, G.W. Trucks, J.A. Pople, M. Head-Gordon, Chem. Phys. Lett. 157 (1989) 479; P.J. Knowles, C. Hampel, H.-J. Werner, J. Chem. Phys. 99 (1993) 5219; J.D. Watts, J. Gauss, R.J. Bartlett, J. Chem. Phys. 98 (1993) 8718.
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MOLPRO 96 is a package of ab initio programs written by with contributions from J. Almlöf, R.D. Amos, M.J.O. Deegan, S.T. Elbert, C. Hampel, W. Meyer, K. Peterson, R. Pitzer, A.J. Stone, P.R. Taylor
-
MOLPRO 96 is a package of ab initio programs written by H.-J. Werner, P.J. Knowles, with contributions from J. Almlöf, R.D. Amos, M.J.O. Deegan, S.T. Elbert, C. Hampel, W. Meyer, K. Peterson, R. Pitzer, A.J. Stone, P.R. Taylor; The closed shell CCSD program is described in C. Hampel, K. Peterson, H.-J. Werner, Chem. Phys. Lett. 190 (1992) 1.
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Werner, H.-J.1
Knowles, P.J.2
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12
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0002745201
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The closed shell CCSD program is described in
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MOLPRO 96 is a package of ab initio programs written by H.-J. Werner, P.J. Knowles, with contributions from J. Almlöf, R.D. Amos, M.J.O. Deegan, S.T. Elbert, C. Hampel, W. Meyer, K. Peterson, R. Pitzer, A.J. Stone, P.R. Taylor; The closed shell CCSD program is described in C. Hampel, K. Peterson, H.-J. Werner, Chem. Phys. Lett. 190 (1992) 1.
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19
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36448999709
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J. Kaupp, P. von R. Schleyer, H. Stoll, H. Preuss, J. Chem. Phys. 94 (1991) 1360; Ca basis 6s 6p 5d + f(α=1.43) , uncontracted. A. Nicklass, M. Dolg, H. Stoll, H. Preuss, J. Chem. Phys. 102 (1995) 8942; Ar and Kr basis (8s 8p 4d 1f)/[6s 6p 4d 1f].
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Kaupp, J.1
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0009803110
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Ca basis 6s 6p 5d + f(α=1.43) , uncontracted. Ar and Kr basis (8s 8p 4d 1f)/[6s 6p 4d 1f].
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J. Kaupp, P. von R. Schleyer, H. Stoll, H. Preuss, J. Chem. Phys. 94 (1991) 1360; Ca basis 6s 6p 5d + f(α=1.43) , uncontracted. A. Nicklass, M. Dolg, H. Stoll, H. Preuss, J. Chem. Phys. 102 (1995) 8942; Ar and Kr basis (8s 8p 4d 1f)/[6s 6p 4d 1f].
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Nicklass, A.1
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Preuss, H.4
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