Symmetry of Polycentric Systems

The Polycentric Tensor Algebra for Molecules

Symmetry of Polycentric Systems

The Polycentric Tensor Algebra for Molecules

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Summary of the Wigner-Racah algebra of non-simply-reducible point groups with non-ambivalent classes
Representations induced by polyhedral edges
Bicentric 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.
ISBN 978-3-540-11589-2
Artikelnummer 9783540115892
Medientyp Buch
Auflage 1982
Copyrightjahr 1982
Verlag Springer, Berlin
Umfang VI, 140 Seiten
Abbildungen VI, 140 p. 2 illus.
Sprache Englisch