A new method of constructing symmetry-adapted linear combinations for a finite group: II. Correspondence theorem and basis operators |
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Authors: | Shoon K. Kim |
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Affiliation: | Department of Chemistry, Temple University, Philadelphia, PA 19122, USA |
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Abstract: | A correspondence theorem is introduced to describe the relation between an elementary basis function and a symmetry-adapted linear combination belonging to the same irreducible representation of a point group. By means of basis operators, the general expressions are given for the symmetry-adapted linear combinations, the coupling coefficients, the lattice harmonics and the hybrid atomic orbitals. Illustrative examples are discussed to demonstrate the effectiveness of the formalism. |
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