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Volumn 501, Issue 4-6, 2011, Pages 612-618

The infrared spectrum of spessartine Mn3Al2Si 3O12: An ab initio all electron simulation with five different functionals (LDA, PBE, PBESOL, B3LYP and PBE0)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ACTIVE MODE; BASIS SETS; DENSITY FUNCTIONALS; DIELECTRIC FUNCTIONS; FUNCTIONALS; HIGH-FREQUENCY DIELECTRICS; INFRARED SPECTRUM; LARGE UNIT CELL; OSCILLATOR STRENGTHS; PERIODIC SYSTEM; REFLECTANCE SPECTRUM;

EID: 78650831108     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.11.072     Document Type: Article
Times cited : (20)

References (49)
  • 10
    • 41849095114 scopus 로고    scopus 로고
    • J. Perdew, A. Ruzsinszky, G.I. Csonka, O.A. Vydrov, G.E. Scuseria, L.A. Constantin, X. Zhou, K. Burke, 100 (2008) 136406
    • J. Perdew, A. Ruzsinszky, G.I. Csonka, O.A. Vydrov, G.E. Scuseria, L.A. Constantin, X. Zhou, K. Burke, 100 (2008) 136406.
  • 41
    • 78650823815 scopus 로고    scopus 로고
    • .


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.