Symmetryadapted integral derivatives
A procedure, based on double coset decompositions, is described for reducing formulas for derivatives (with respect to nuclear coordinates) of integrals over symmetryadapted orbitals to symmetrydistinct integral derivatives over atomic orbitals. The procedure is applicable to any finite point grou... Full description
Journal Title:  Theoretica chimica acta 1986, Vol.69(5), pp.447460 
Main Author:  Taylor, Peter 
Format:  Electronic Article 
Language: 
English 
Subjects:  
ID:  ISSN: 00405744 ; EISSN: 14322234 ; DOI: 10.1007/BF00526703 
Link:  http://dx.doi.org/10.1007/BF00526703 
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recordid:  springer_jour10.1007/BF00526703 
title:  Symmetryadapted integral derivatives 
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ispartof:  Theoretica chimica acta, 1986, Vol.69(5), pp.447460 
description:  A procedure, based on double coset decompositions, is described for reducing formulas for derivatives (with respect to nuclear coordinates) of integrals over symmetryadapted orbitals to symmetrydistinct integral derivatives over atomic orbitals. The procedure is applicable to any finite point group and to integral derivatives of any order. 
language:  eng 
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identifier:  ISSN: 00405744 ; EISSN: 14322234 ; DOI: 10.1007/BF00526703 
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