Symmetry of Polycentric Systems [electronic resource] : The Polycentric Tensor Algebra for Molecules / by Gerhard Fieck.
Material type: TextSeries: Lecture Notes in Physics ; 167Publisher: Berlin, Heidelberg : Springer Berlin Heidelberg, 1982Description: VI, 140 p. 2 illus. online resourceContent type:- text
- computer
- online resource
- 9783540393498
- 541 23
- QD450-882
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.
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