Molecular core-valence correlation effects involving the post-d elements Ga-Rn: Benchmarks and new pseudopotential-based correlation consistent basis sets

Journal of Chemical Physics

Volumn 133, Issue 17, 2010, Pages

  Peterson, Kirk A ^a   Yousaf, Kazim E ^a  

^a WASHINGTON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

3D-ELEMENTS; BASIS SETS; BOND-LENGTH SHORTENING; CORE-VALENCE CORRELATION EFFECTS; CORRELATION CONSISTENT BASIS SETS; COUPLED-CLUSTER CALCULATIONS; D ELECTRONS; DISSOCIATION ENERGIES; DOUGLAS-KROLL-HESS HAMILTONIANS; HARMONIC FREQUENCY; HARTREE-FOCK; HOMONUCLEAR DIATOMICS; MOLECULAR CORE; ORDER OF MAGNITUDE; PSEUDOPOTENTIALS; SMALL MOLECULES; SPECTROSCOPIC PROPERTY;

BOND LENGTH; CORRELATION DETECTORS; DISSOCIATION; ELECTRONS; POSITIVE IONS; RADON;

CORRELATION METHODS;

EID: 78650671587     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3503659     Document Type: Article

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