Inclusion of the quadrupole moment when describing polarization. the effect of the dipole-quadrupole polarizability

Journal of Computational Chemistry

Volumn 29, Issue 12, 2008, Pages 2033-2038

  Holt, Asbjørn ^a   Karlström, Gunnar ^a  

^a LUND UNIVERSITY   (Sweden)

Author keywords

Dipole quadrupole polarizability; Induced quadrupole; Induction; NEMO, force field; Polarization

Indexed keywords

ELECTRIC CURRENTS; ELECTROSTATICS; MOLECULAR PHYSICS; MOLECULES; NUMERICAL ANALYSIS; PERTURBATION TECHNIQUES; POLARIZATION; SURFACE STRUCTURE;

BASIS SETS; DIPOLE-QUADRUPOLE; ELECTROSTATIC POTENTIAL (ESP); EXTERNAL PERTURBATIONS; FINITE FIELDS; FORCE FIELD (FF); HARTREE FOCK (HF); HARTREE FOCK APPROXIMATION (HFA); HIGHER ORDER; HOMOGENEOUS FIELD; INTERMOLECULAR INTERACTIONS (IMI); MULTIPOLE EXPANSIONS; NUMERICAL DIFFERENTIATIONS; POLARIZATION MODELS; QUADRUPOLE MOMENTS;

METHOD OF MOMENTS;

EID: 47649109798     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20976     Document Type: Article

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