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Matrix elements of a many-particle hamiltonian evaluated using hyperspherical coordinates

โœ Scribed by John Avery; Zhen-Yi Wen

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
197 KB
Volume
24
Category
Article
ISSN
0020-7608

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Group theoretic methods are presented for the transformations of integrals and the evaluation of matrix elements encountered in multiconfigurational self-consistent field (MCSCF) and configuration interaction (CI) calculations. The method has the advantages of needing only to deal with a symmetry un