Accurate relativistic adapted Gaussian basis sets for hydrogen through xenon without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models

Journal of Computational Chemistry

Volumn 27, Issue 1, 2006, Pages 61-71

  Haiduke, Roberto L A ^a   Da Silva, Albérico B F ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

Adapted basis sets; Gaussian type orbitals; Generator coordinate; Polynomial expansion; Relativistic

Indexed keywords

MATHEMATICAL MODELS; POLYNOMIALS; TREES (MATHEMATICS); XENON;

GAUSSIAN-TYPE ORBITALS; GENERATOR COORDINATE; POLYNOMIAL EXPANSION; RELATIVISTIC;

HYDROGEN;

EID: 33645146572     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20321     Document Type: Article

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