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

Journal of the Brazilian Chemical Society

Volumn 15, Issue 3, 2004, Pages 445-449

  Narita, Susumu ^a   Shibuya, Tai Ichi ^a   Fujiwara, Fred Y ^b   Takahata, Yuji ^b  

^a SHINSHU UNIVERSITY   (Japan)

^b UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

Degeneracy; Excited states; HAM 3; Semiempirical method; Symmetry

Indexed keywords

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; ENERGY; GEOMETRY; MOLECULE; OSCILLATOR; TECHNIQUE; THEORY;

EID: 4143080403     PISSN: 01035053     EISSN: None     Source Type: Journal    
DOI: 10.1590/S0103-50532004000300018     Document Type: Article

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