Molecular properties with dual basis set methods

Molecular Physics

Volumn 106, Issue 6, 2008, Pages 769-786

  Ksiazek, Agnieszka ^a   Wolinski, Krzysztof ^a  

^a MARIA CURIE SK ODOWSKA UNIVERSITY   (Poland)

Author keywords

Dipole moment and polarizability; Dual basis set; Gradient; Hessian

Indexed keywords

CALCULATIONS; ELECTRIC FIELDS; ELECTROMAGNETIC FIELD THEORY; ELECTROMAGNETIC FIELDS; ELECTROMAGNETISM; MAGNETISM; MOLECULAR ORBITALS; MOLECULES; TELEMETERING SYSTEMS;

BASIS SETS; DUAL BASES; ENERGY DERIVATIVES; EXTERNAL ELECTRIC FIELDS; FINITE-DIFFERENCES; MOLECULAR GRADIENTS; MOLECULAR PROPERTIES; MP2 LEVELS; NUCLEAR POSITIONS; TOTAL ENERGIES;

METHOD OF MOMENTS;

EID: 45849097248     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970801961013     Document Type: Article

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