Symmetry-adapted HAM/3 method and its application to symmetric molecules

Journal of Molecular Structure: THEOCHEM

Volumn 618, Issue 1-2, 2002, Pages 147-154

  Narita, Susumu ^a   Takahata, Yuji ^b   Shibuya, Tai ichi ^a  

^a SHINSHU UNIVERSITY   (Japan)

^b UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

Excited states; Group theory; HAM 3; Projection operators; Semiempirical method

Indexed keywords

ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; MOLECULE; SPECTROSCOPY; THEORY;

EID: 0037112059     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(02)00525-0     Document Type: Article

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