Assessment of parametrized core correlation schemes in Gaussian-3 theory

Molecular Physics

Volumn 100, Issue 6, 2002, Pages 783-790

  Redfern, Paul C ^a   Curtiss, Larry A ^a   Raghavachari, Krishnan ^b  

^a ARGONNE NATIONAL LABORATORY   (United States)

^b AGERE SYSTEMS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIZATION; CHEMICAL BONDS; CORRELATION METHODS; IONIZATION;

ATOMIZATION ENERGIES;

MOLECULAR PHYSICS;

EID: 0037139841     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970110095633     Document Type: Article

References (9)

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3. Curtiss, L.A., Raghavachari, K., Trucks, G.W., and Pople, J.A., 1991, J. chem. Phys., 94, 7221.
4. Curtiss, L.A., Raghavachari, K., Redfern, P.C., and Pople, J.A., 1997, J. chem. Phys., 106, 1063.
5. Curtiss, L.A., Redfern, P.C., Raghavachari, K., and Pople, J.A., 1998, J. chem. Phys., 109, 42.
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8. Fast, P.L., and Truhlar D.G., 1999, J. phys. Chem. A, 103, 3802.
9. Frisch, M.J., Trucks, G.W., Schlegel, H.B., Gill, P.M.W., Johnson, B.G., Robb, M.A., Cheeseman, J.R., Keith, T.A., Petersson, G.A., Montgomery, J.A., Raghavachari, K., Al-Laham, M.A., Zakrzewski, V.G., Ortiz, J.V., Foresman, J.B., Cioslowski, J., Stefanov, B.B., Nanayakkara, A., Challacombe, M., Peng, C.Y., Ayala, P.Y., Chen, W., Wong, M.W., Andres, J.L., Replogle, E.S., Gomperts, R., Martin, R.L., Fox, D.J., Binkley, J.S., Defrees, D.J., Baker, J., Stewart, J.P., Head-Gordon, M., Gonzales, C., and Pople, J.A., 1998, Gaussian 98 (Pittsburgh, PA: Gaussian, Inc.).