Calibration of new model core potentials for main group elements

International Journal of Quantum Chemistry

Volumn 109, Issue 14, 2009, Pages 3235-3245

  Zeng, Tao ^a   Mori, Hirotoshi ^b   Miyoshi, Eisaku ^c   Klobukowski, Mariusz ^a  

^a UNIVERSITY OF ALBERTA   (Canada)

^b OCHANOMIZU UNIVERSITY   (Japan)

^c KYUSHU UNIVERSITY   (Japan)

Author keywords

Basis sets; Calibration; Electron correlation; Model core potentials; Molecular geometry

Indexed keywords

BASIS SETS; CLOSED SHELLS; DIAGNOSTIC CONCLUSION; EXPERIMENTAL VALUES; MAIN-GROUP ELEMENTS; MODEL CORE POTENTIALS; MOLECULAR GEOMETRY; NEW MODEL; NOBLE GAS; STRUCTURAL PARAMETER;

ELECTRON CORRELATIONS; ELECTRON DENSITY MEASUREMENT; ERRORS; INERT GASES; MOLECULAR ORBITALS; RADON;

CALIBRATION;

EID: 70349547143     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22120     Document Type: Conference Paper

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