Symmetry of Polycentric Systems
The Polycentric Tensor Algebra for Molecules
Symmetry of Polycentric Systems
The Polycentric Tensor Algebra for Molecules
Summary of the Wigner-Racah algebra of non-simply-reducible point groups with non-ambivalent classes
Representations induced by polyhedral edgesBicentric matrices
The matrix elements of s.-a. molecular orbitals
Polyhedral coefficients referring to edges
Triangular coefficients
Triangular invariants
Symmetry-adapted geminals and densities
Pseudo-tetrahedral coefficients
Two-particle interaction
Complete bases of irreducible representations
Transformation properties and structure of the multi-centre integrals
Multi-centre integrals and molecular symmetry
Ab initio determination of the polycentric invariants
Wolfsberg-Helmholtz and Mulliken approximations
Floating orbitals
Overlap- and structural matrices, orthonormalization
Many-electron systems
Sketch of the VB picture
Prospect of crystals
Case study: Tetrahedral structures
Case study: Matrix elements.
Fieck, G.
ISBN | 978-3-540-11589-2 |
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Artikelnummer | 9783540115892 |
Medientyp | Buch |
Auflage | 1982 |
Copyrightjahr | 1982 |
Verlag | Springer, Berlin |
Umfang | VI, 140 Seiten |
Abbildungen | VI, 140 p. 2 illus. |
Sprache | Englisch |