Advances in quantum chemistry. Volume 23 Quantum theory project, University of Florida, Gainesville, Florida

This series presents a survey of the current developments in quantum chemistry by leading international researchers. It is aimed at atomic and molecular structure physicists, chemists and spectroscopists in chemistry and physics departments and industry. Content: Theory of Molecular Auger Spectra; On Linear Algebra, the Least Square Method, and the Search for Linear Relations by Regression Analysis in Quantum Chemistry and Other Sciences; Canonical and Noncanonical Methods in Applications of Group Theory to Physical Problems; Analytical Energy Gradients in Møller-Plesset Perturbation and Quadratic Configuration Interaction Methods: Theory and Application; Ab initio Molecular Orbital Calculations of Bond Index and Valency. Abstract: This series presents a survey of the current developments in quantum chemistry by leading international researchers. It is aimed at atomic and molecular structure physicists, chemists and spectroscopists in chemistry and physics departments and industry Content: Editorial Board Page ii Edited by Page iii Copyright page Page iv Contributors Page vii Preface Pages ix-x Per-Olov Lowdin Theory of Molecular Auger Spectra Original Research Article Pages 1-82 Hhans Ågren, Amary Cesar, Christoph-Maria Liegener On Linear Algebra, the Least Square Method, and the Search for Linear Relations by Regression Analysis in Quantum Chemistry and Other Sciences Original Research Article Pages 83-126 Per-Olov Löwdin Canonical and Noncanonical Methods in Applications of Group Theory to Physical Problems Original Research Article Pages 127-204 J.D. Louck, L.C. Biedenharn Analytical Energy Gradients in Møller-Plesset Perturbation and Quadratic Configuration Interaction Methods: Theory and Application Original Research Article Pages 205-299 Jürgen Gauss, Dieter Cremer AB Initio Molecular Orbital Calculations of Bond Index and Valency Original Research Article Pages 301-351 A.B. Sannigrahi Index Pages 353-363 The problem of symmetry breaking (SB) is well known and multiply discussed in literature.