Correlated, relativistic, and basis set limit molecular polarizability calculations to evaluate an augmented effective core potential basis set

International Journal of Quantum Chemistry

Volumn 106, Issue 15, 2006, Pages 3140-3148

  Labello, Nicholas P ^a   Ferreira, Antonio M ^b   Kurtz, Henry A ^a  

^a University of Memphis   (United States)

^b ST JUDE CHILDREN S RESEARCH HOSPITAL   (United States)

Author keywords

Basis sets; Effective core potential; Polarizability

Indexed keywords

BASIS SETS; EFFECTIVE CORE POTENTIAL; POLARIZABILITY;

ELECTRONIC PROPERTIES; POLARIZATION; QUANTUM THEORY; WAVE EQUATIONS;

MOLECULAR DYNAMICS;

EID: 33750923678     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21129     Document Type: Conference Paper

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