Application of the iterative difference-dedicated configuration interaction method to the determination of excitation energies in some benchmark systems: Be, CH+, BH and CH2

Theoretical Chemistry Accounts

Volumn 98, Issue 1, 1997, Pages 50-56

  Garcia V M ^a   Reguero, M ^a   Caballol, R ^a  

^a UNIVERSITAT ROVIRA I VIRGILI   (Spain)

Author keywords

Benchmark calculations; Difference dedicated CI; Orbital improvement; Transitions in atomic Be; Vertical transitions in BH, CH+, CH2

Indexed keywords

EID: 0031490536     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140050277     Document Type: Article

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