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Volumn 100, Issue 1-4, 1998, Pages 230-240

Dispersion coefficients for first hyperpolarizabilities using coupled cluster quadratic response theory

Author keywords

Ammonia; Coupled cluster response theory; Dispersion coefficients; Frequency dependence; Hyperpolarizabilities

Indexed keywords


EID: 0032415239     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140050384     Document Type: Article
Times cited : (21)

References (45)
  • 21
    • 85085782295 scopus 로고    scopus 로고
    • (23),3
    • (23),3
  • 22
    • 85085781915 scopus 로고    scopus 로고
    • ms
    • ms
  • 35
    • 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 WA 99352, USA, and funded by the US Department of Energy. PNL is a multiprogram laboratory operated by Batelle Memorial Institute for the US Department of Energy under contract DE-AC06-76RLO 1830
    • Woon DE, Dunning TH (1995) J Chem Phys 103:4572. 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 WA 99352, USA, and funded by the US Department of Energy. PNL is a multiprogram laboratory operated by Batelle Memorial Institute for the US Department of Energy under contract DE-AC06-76RLO 1830
    • (1995) J Chem Phys , vol.103 , pp. 4572
    • Woon, D.E.1    Dunning, T.H.2
  • 37
    • 0013526061 scopus 로고    scopus 로고
    • The original value of Ward and Miller measured relative to the helium ESHG hyperpolarizability was rescaled in [4] using the theoretical helium hyperpolarizability of [44]
    • The original value of Ward and Miller measured relative to the helium ESHG hyperpolarizability was rescaled in [4] using the theoretical helium hyperpolarizability of [44]


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.