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Volumn 109, Issue 7, 1998, Pages 2762-2778

Coupled cluster calculations of the frequency-dependent second hyperpolarizabilities of Ne, Ar, N2, and CH4

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EID: 0001508711     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476833     Document Type: Article
Times cited : (44)

References (75)
  • 20
    • 0000186252 scopus 로고
    • Time-Dependent Response Theory with Applications to Self-Consistent Field and Multiconfigurational Self-Consistent Field Wave Functions
    • in edited by D. R. Yarkony (World Scientific, Singapore,) Chap. 13
    • J. Olsen and P. Jørgensen, Time-Dependent Response Theory with Applications to Self-Consistent Field and Multiconfigurational Self-Consistent Field Wave Functions, in Modern Electronic Structure Theory, edited by D. R. Yarkony (World Scientific, Singapore, 1995), Vol. 2, Chap. 13, pp. 857-990.
    • (1995) Modern Electronic Structure Theory , vol.2 , pp. 857-990
    • Olsen, J.1    Jørgensen, P.2
  • 42
    • 36449006587 scopus 로고
    • The 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. PNL is a multiprogram laboratory operated by Batelle Memorial Institute for the U.S. Department of Energy under Contract No. DE-AC06-76RLO 1830
    • D. E. Woon and T. H. Dunning, J. Chem. Phys. 103, 4572 (1995). The 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. PNL is a multiprogram laboratory operated by Batelle Memorial Institute for the U.S. Department of Energy under Contract No. DE-AC06-76RLO 1830.
    • (1995) J. Chem. Phys. , vol.103 , pp. 4572
    • Woon, D.E.1    Dunning, T.H.2
  • 43
    • 22244469157 scopus 로고    scopus 로고
    • Since in coupled cluster response calculations nonrelaxed SCF orbitals are used, a frozen core approximation means for the CC response hierarchy that the frozen orbitals are also not polarized by the external field
    • Since in coupled cluster response calculations nonrelaxed SCF orbitals are used, a frozen core approximation means for the CC response hierarchy that the frozen orbitals are also not polarized by the external field.
  • 55
    • 22244487034 scopus 로고    scopus 로고
    • 2 in the considered frequency range small and we expand here only a small correction
    • 2 in the considered frequency range small and we expand here only a small correction.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.