Benchmark calculations of some molecular properties of O2, CN and other selected small radicals using the ROHF-CCSD(T) method

Molecular Physics

Volumn 100, Issue 5, 2002, Pages 541-560

  Neogrády, Pavel ^a   Medveď, Miroslav ^b   Černušák, Ivan ^a   Urban, Miroslav ^a  

^a Physics and Informatics   (Slovakia)

^b MATEJ BEL UNIVERSITY   (Slovakia)

Author keywords

[No Author keywords available]

Indexed keywords

FREE RADICALS; GROUND STATE; ITERATIVE METHODS; OXYGEN; POLARIZATION;

ELECTRON AFFINITY;

MOLECULAR PHYSICS;

EID: 0037486829     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970110095660     Document Type: Article

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