Symmetry of Polycentric Systems
Fieck, Gerhard.
Symmetry of Polycentric Systems The Polycentric Tensor Algebra for Molecules / [electronic resource] : by Gerhard Fieck. - VI, 140 p. 2 illus. online resource. - Lecture Notes in Physics, 167 0075-8450 ; . - Lecture Notes in Physics, 167 .
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.
9783540393498
10.1007/3-540-11589-7 doi
Chemistry, Physical organic.
Physical Chemistry.
QD450-882
541
Symmetry of Polycentric Systems The Polycentric Tensor Algebra for Molecules / [electronic resource] : by Gerhard Fieck. - VI, 140 p. 2 illus. online resource. - Lecture Notes in Physics, 167 0075-8450 ; . - Lecture Notes in Physics, 167 .
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.
9783540393498
10.1007/3-540-11589-7 doi
Chemistry, Physical organic.
Physical Chemistry.
QD450-882
541