G. Fieck

Symmetry of Polycentric Systems

The Polycentric Tensor Algebra for Molecules

• Broschiertes Buch

Produktdetails

• Lecture Notes in Physics 167
• Verlag: Springer / Springer Berlin Heidelberg / Springer, Berlin
• Artikelnr. des Verlages: 978-3-540-11589-2
• 1982
• Seitenzahl: 152
• Erscheinungstermin: 1. August 1982
• Englisch
• Abmessung: 244mm x 170mm x 9mm
• Gewicht: 274g
• ISBN-13: 9783540115892
• ISBN-10: 3540115897
• Artikelnr.: 41201501

Inhaltsangabe

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.