메뉴 건너뛰기




Volumn 81, Issue 2, 2001, Pages 148-153

New program for molecular calculations with Slater-type orbitals

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTATIONAL METHODS; ELECTRON ENERGY LEVELS; FUNCTIONS; QUANTUM THEORY;

EID: 0037976055     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/1097-461X(2001)81:2<148::AID-QUA6>3.0.CO;2-0     Document Type: Article
Times cited : (70)

References (23)
  • 10
    • 0343009289 scopus 로고
    • Wollongong, Australia
    • Buenker, R. J. Proceedings of Workshop on Quantum Chemistry and Molecular Physics, Wollongong, Australia, 1980; Buenker, R. J. Studies in Physical and Theoretical Chemistry, Vol. 21; Current Aspects of Quantum Chemistry; Carbó, R., Ed.; Elsevier: Amsterdam, 1982; Buenker, R. J.; Phillips, R. A. J Mol Struct THEOCHEM 1985, 123, 291-300.
    • (1980) Proceedings of Workshop on Quantum Chemistry and Molecular Physics
    • Buenker, R.J.1
  • 11
    • 0343880799 scopus 로고    scopus 로고
    • Buenker, R. J. Proceedings of Workshop on Quantum Chemistry and Molecular Physics, Wollongong, Australia, 1980; Buenker, R. J. Studies in Physical and Theoretical Chemistry, Vol. 21; Current Aspects of Quantum Chemistry; Carbó, R., Ed.; Elsevier: Amsterdam, 1982; Buenker, R. J.; Phillips, R. A. J Mol Struct THEOCHEM 1985, 123, 291-300.
    • Studies in Physical and Theoretical Chemistry , vol.21
    • Buenker, R.J.1
  • 12
    • 0003605183 scopus 로고
    • Elsevier: Amsterdam
    • Buenker, R. J. Proceedings of Workshop on Quantum Chemistry and Molecular Physics, Wollongong, Australia, 1980; Buenker, R. J. Studies in Physical and Theoretical Chemistry, Vol. 21; Current Aspects of Quantum Chemistry; Carbó, R., Ed.; Elsevier: Amsterdam, 1982; Buenker, R. J.; Phillips, R. A. J Mol Struct THEOCHEM 1985, 123, 291-300.
    • (1982) Current Aspects of Quantum Chemistry
    • Carbó, R.1
  • 13
    • 0042270786 scopus 로고
    • Buenker, R. J. Proceedings of Workshop on Quantum Chemistry and Molecular Physics, Wollongong, Australia, 1980; Buenker, R. J. Studies in Physical and Theoretical Chemistry, Vol. 21; Current Aspects of Quantum Chemistry; Carbó, R., Ed.; Elsevier: Amsterdam, 1982; Buenker, R. J.; Phillips, R. A. J Mol Struct THEOCHEM 1985, 123, 291-300.
    • (1985) J Mol Struct THEOCHEM , vol.123 , pp. 291-300
    • Buenker, R.J.1    Phillips, R.A.2
  • 15
    • 0343444973 scopus 로고    scopus 로고
    • note
    • Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 1.0, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, Washington 99352, USA, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram laboratory operated by Battelle Memorial Institue for the U.S. Department of Energy under contract DE-AC06-76RLO 1830. Contact David Feller, Karen Schuchardt, or Don Jones for further information.
  • 16
    • 28944448300 scopus 로고
    • Dunning, Jr., T. H. J Chem Phys 1970, 53, 2823-2833; Dunning, Jr., T. H.; Hay, P. J. Methods of Electronic Structure Theory, Vol. 3; Schaefer, III, H. F., Ed.; Plenum: New York, 1977.
    • (1970) J Chem Phys , vol.53 , pp. 2823-2833
    • Dunning T.H., Jr.1
  • 19
    • 0010689269 scopus 로고
    • Davidson, E. R.; Kunze, K. L.; Machado, B. C.; Chakravorty, S. J. Acc Chem Res 1993, 26, 628; Jones, L. H. Inorg Chem 1976, 15, 1244-1245.
    • (1976) Inorg Chem , vol.15 , pp. 1244-1245
    • Jones, L.H.1
  • 20
    • 84916830027 scopus 로고
    • García de la Vega, J. M.; Miguel, B. J Comput Chem 1991, 12, 1172-1181; Pietro, W. J.; Hehre, W. J. J Comput Chem 1983, 4, 242-243; Poeppelmeier, K. R.; Corbett, J. C.; Jones, L. H. Inorg Chem 1977, 16, 294-297.
    • (1991) J Comput Chem , vol.12 , pp. 1172-1181
    • García De La Vega, J.M.1    Miguel, B.2
  • 21
    • 0040176685 scopus 로고
    • García de la Vega, J. M.; Miguel, B. J Comput Chem 1991, 12, 1172-1181; Pietro, W. J.; Hehre, W. J. J Comput Chem 1983, 4, 242-243; Poeppelmeier, K. R.; Corbett, J. C.; Jones, L. H. Inorg Chem 1977, 16, 294-297.
    • (1983) J Comput Chem , vol.4 , pp. 242-243
    • Pietro, W.J.1    Hehre, W.J.2
  • 22
    • 0040176685 scopus 로고
    • García de la Vega, J. M.; Miguel, B. J Comput Chem 1991, 12, 1172-1181; Pietro, W. J.; Hehre, W. J. J Comput Chem 1983, 4, 242-243; Poeppelmeier, K. R.; Corbett, J. C.; Jones, L. H. Inorg Chem 1977, 16, 294-297.
    • (1977) Inorg Chem , vol.16 , pp. 294-297
    • Poeppelmeier, K.R.1    Corbett, J.C.2    Jones, L.H.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.