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Volumn 347, Issue 1-3, 2008, Pages 17-24

Solving restricted open-shell equations in excited state molecular dynamics simulations

Author keywords

Density functional theory; Ethene; Excited state; Molecular dynamics; Pyrrole; Restricted open shell theory

Indexed keywords


EID: 43049162337     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2007.09.035     Document Type: Article
Times cited : (17)

References (40)
  • 21
    • 43049174460 scopus 로고    scopus 로고
    • J. Grotendorst (Ed.), Ab initio Molecular Dynamics: Theory and Implementation, vol. 1. 2000, published in: Forschungszentrum Jülich, NIC Series.
    • J. Grotendorst (Ed.), Ab initio Molecular Dynamics: Theory and Implementation, vol. 1. 2000, published in: Forschungszentrum Jülich, NIC Series.
  • 22
    • 43049182890 scopus 로고    scopus 로고
    • CPMD Version 3.11, Copyright IBM Corp 1990-2006, Copyright MPI für Festkörperforschung Stuttgart 1997-2001.
    • CPMD Version 3.11, Copyright IBM Corp 1990-2006, Copyright MPI für Festkörperforschung Stuttgart 1997-2001.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.