Semiempirical calculations of first-order hyperpolarizabilities: Testing the performance of different methods in comparison to experiment

Journal of Physical Chemistry B

Volumn 102, Issue 4, 1998, Pages 664-670

  Beck, Bernd ^a,b   Grummt, U W ^a  

^a FRIEDRICH SCHILLER UNIVERSITY JENA   (Germany)

^b UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SOFTWARE; CORRELATION METHODS; MOLECULAR STRUCTURE; ORGANIC COMPOUNDS; POLARIZATION;

HARTREE FOCK METHOD; SELF CONSISTENT REACTION FIELD APPROACH; SOFTWARE PACKAGE CNDOS; SOFTWARE PACKAGE VAMP;

MOLECULAR DYNAMICS;

EID: 0031672245     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp970592g     Document Type: Review

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