Symmetry simplifications of space types in configuration interaction induced by orbital degeneracy
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چکیده
منابع مشابه
Symmetry Simplifications of Space Types in Configuration Interaction Induced by Orbital Degeneracy
Symmetry simplifications are introduced in configuration interaction (CI) by reducing the number of symmetry-allowed space types if there is degeneracy in some of the molecular orbitals by constructing the unique space types. A new symmetry group which we call the configuration symmetry group is defined and is shown to be expressible as a generalized wreath product group. Generating functions a...
متن کاملSymmetry Simplifications of Space Types in Configuration Interaction Induced by Orbital Degeneracy
Symmetry simplifications are introduced in configuration interaction (CI) by reducing the number of symmetry-allowed space types if there is degeneracy in some of the molecular orbitals by constructing the unique space types. A new symmetry group which we call the configuration symmetry group is defined and is shown to be expressible as a generalized wreath product group. Generating functions a...
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ژورنال
عنوان ژورنال: International Journal of Quantum Chemistry
سال: 1981
ISSN: 0020-7608,1097-461X
DOI: 10.1002/qua.560200610