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Volumn 116, Issue 48, 2012, Pages 11927-11937

Improved electronic properties from third-order SCC-DFTB with cost efficient post-SCF extensions

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ATOMIC-ORBITAL BASIS; BOND DIPOLES; CHARGE MODELS; COMPUTATIONAL COSTS; COST-EFFICIENT; ELECTRIC FIELD APPROACH; EMPIRICAL PARAMETERS; FIRST-ORDER DERIVATIVE; MOLECULAR DIPOLE MOMENT; MOLECULAR POLARIZABILITIES; NORMAL MODE VIBRATIONS; ORGANIC MOLECULES; POLARIZABILITIES; RAMAN INTENSITIES; REFERENCE DATA; RELATIVE INTENSITY; THIRD-ORDER; VARIATIONAL APPROACHES;

EID: 84870819050     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp307264f     Document Type: Article
Times cited : (16)

References (52)
  • 23
    • 84870822735 scopus 로고    scopus 로고
    • Ph.D. Thesis, University of Paderborn, Germany.
    • Elstner, M. Ph.D. Thesis, University of Paderborn, Germany, 1998.
    • (1998)
    • Elstner, M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.