Keywords:
Chemistry
;
Physical chemistry
;
Chemistry
;
Chemistry, Physical organic
;
Chemistry
;
Physical Chemistry
Description / Table of Contents:
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
Type of Medium:
Online Resource
Pages:
1 Online-Ressource (VI, 140 p. 2 illus)
Edition:
Springer eBook Collection. Physics and Astronomy
ISBN:
9783540393498
,
9783540115892
Series Statement:
Lecture Notes in Physics 167
URL:
http://dx.doi.org/10.1007/3-540-11589-7
DOI:
10.1007/3-540-11589-7
Language:
English
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