STO and GTO field-induced polarization functions for H to Kr

Journal of Computational Chemistry

Volumn 24, Issue 13, 2003, Pages 1582-1591

  Chong, Delano P ^a   Grüning, Myrta ^b   Baerends, Evert Jan ^b  

^a UNIVERSITY OF BRITISH COLUMBIA   (Canada)

^b VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

(Hyper)polarizability of atoms and molecules; Asymptotic highest occupied atomic orbital; Basis set; Field induced polarization functions; GTO; STO

Indexed keywords

APPROXIMATION THEORY; ASYMPTOTIC STABILITY; GROUND STATE; HYDROGEN; KRYPTON; MOLECULAR ORIENTATION; NUMERICAL ANALYSIS; POLARIZATION;

FIELD INDUCED POLARIZATION; HIGHEST OCCUPIED ATOMIC ORBITAL; SLATER TYPE ORBITAL;

MOLECULAR DYNAMICS;

EID: 0043285112     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10310     Document Type: Article

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