Relativistic and Electron Correlation Effects in Molecules and Solids - NATO Science Series B 1994 edition

Marc Notes: Proceedings of a NATO Advanced Study Institute on Relativistic and Electron Correlation Effects in Molecules and Solids, held August 10-21, 1992, at the University of British Columbia, Vancouver, British Columbia, Canada--T.p. verso.; Includes bibliographical references and index.; Published in cooperation with NATO Scientific Affairs Division.. Table of Contents: Relativistic and Electron Correlation Effects in Molecules of Heavy Elements; G. L. Mallia. Polyatomic Molecular DiracHartreeFock Calculations with Gaussian Basis Sets; K. G. Dyall. Molecular Electronic Structure Calculations Based on the DiracCoulomb(Breit) Hamiltonian; W. C. Nieuwpoort, et al. Electronic Structure of Molecules, Clusters, and Surfaces Using Ab initio Relativistic Effective Core and Core/Valence Polarization Potentials; W. C. Ermler, M. M. Marino. Configuration Interaction Wave Functions; E. R. Davidson. Full Configuration Interaction and Moller-Plesset Theory; N. C. Handy. A Discussion of Some Aspects of the MCSCF Method; R. Shepard. Electron Correlation in Molecules Using Direct Second Order MCSCF; H. J. A. Jensen. Algebraic Approach to Coupled Cluster Theory; J. Paldus. Correlated and Non-Correlated Wave Functions for Organometallics; M. M. Rohmer, et al. 6 additional articles. Index."Publisher Marketing: The NATO Advanced Study Institute (ASI) on "R@lativistic and Electron Correlation Effects in Molecules and Solids," co-sponsored by Simon Fraser University (SFU) and the Natural Sciences and Engineering Research Council of Canada (NSERC) was held Aug 10- 21, 1992 at the University of British Columbia (UBC), Vancouver, Canada. A total of 90 lecturers and students with backgrounds in Chemistry, Physics, Mathematics and various interdisciplinary subjects attended the ASI. In my proposal submitted to NATO for financial support for this ASI, I pointed out that a NATO ASI on the effects of relativity in many-electron systems was held ten years ago, [See G. L. Malli, (ed) Relativistic Effects in Atoms, Molecules and Solids, Plenum Press, Vol B87, New York, 1983]. Moreover, at a NATO Advanced Research Workshop (ARW) on advanced methods for molecular electronic structure "an assessment of state-of the-art of Electron Correlation ... " was carried out [see C. E. Dykstra, (ed), Advanced Theories and Computational Approaches to the Electronic Structure of Molecules, D. Reidel Publishin Company, Vol C133, Dordrecht, The Netherlands 1984]. However, during the last five years, it has become clear that the relativistic and electron correlation effects must be included in the theoretical treatment of many-electron molecules and solids of heavy elements (with Z > 70). Molecules and clusters containing heavy elements are of crucial importance in a number of areas of Chemistry and Physics such as nuclear fuels, catalysis, surface science, etc."

Contributor Bio:  North Atlantic Treaty Organization Dedication. Preface. Acknowledgments. Clifford Geometric Algebras in Multilinear Algebra and Non-Euclidean Geometries.- Geometric algebra Projective Geometries; Affine and other geometries; Affine Geometry of pseudo-euclidean space; Conformal Geometry and the Horosphere; References. Content-Based Information Retrieval by Group Theoretical Methods.- Introduction; Motivating Examples; General Concept; Fault Tolerance.- Applications, Prototypes, and Test Results; Related Work and Future Research; References.- Four Problems in Radar.-Introduction; Radar Fundamentals; Radar Waveforms; Signal Processing; Space-Time Adaptive Processing; Four Problems in Radar; Conclusions. Introduction to Generalized Classical and Quantum Signal and System Theories on Groups and Hypergroups.-Generalized classical signal/system theory on hypergroups; Generalized quantum signal/system theory on hypergroups; Conclusion; References. Lie Groups and Lie Algebras in Robotics.- Introduction -- Rigid Body Motions; Lie Groups; Finite Screw Motions; Mechanical Joints; Invisible Motion and Gripping; Forward Kinematics; Lie Algebra; The Adjoint Representation; The Exponential Map Derivatives of Exponentials; Jacobians; Concluding Remarks; References. Quantum/Classical Interface: a Geometric Approach from the Classical Side.- Introduction Paravector Space as Spacetime; Eigenspinors; Spin; Dirac Equation; Bell's Theorem; Qubits and Entanglement; Conclusions; References. PONS, Reed-Muller Codes, and Group Algebras.- Introduction; Analytic Theory of One-Dimensional PONS (Welti); Shapiro Sequences, Reed-Muller Codes, and Functional Equations; Group Algebras; Reformulation of Classical PONS; Group Algebra of Classical PONS; GroupAlgebra Convolution; Splitting Sequences; Historical Appendix on PONS; References. Clifford Algebras as a Unified Language.- Introduction; Clifford algebras as models of physical spaces; Clifford Algebras as Models of Perceptual Multicolor Spaces; Hypercomplex-Valued invariants of nD multicolor images; Conclusions; Acknowledgments; References. Recent Progress and Applications in Group FFTs.-Introduction; Finite group FFTs; FFTs for compact groups; Noncompact groups; References. Group Filters and Image Processing.- Introduction: Classical Digital Signal Processing; Abelian Group DSP; Nonabelian Groups; Examples; Group Transforms; Group Filters; Line-like Images; Acknowledgments; References. A Geometric Algebra Approach to Some Problems of Robot Vision.- Introduction; Local Analysis of Multi-dimensional Signals; Knowledge Based Neural Computing; Acknowledgments; References. Group Theory in Radar and Signal Processing.- Introduction; How a Radar Works; Representations; Representations and Radar; Ambiguity Functions; The Wide Band Case; References. Geometry of Paravector Space with Applications to Relativistic Physics.- Clifford Algebras in Physics; Paravector Space as Spacetime; Interpretation; Eigenspinors; Maxwell's Equation; Conclusions; References. A Unified Approach to Fourier-Clifford-Prometheus Transforms- Introduction; New construction of classical and multiparametric Prometheus transforms; PONS associated with Abelian groups; Fast Fourier-Prometheus Transforms; Conclusions; Acknowledgments; References. Fast Color Wavelet Transforms.- Introduction; Color images; Color Wavelet-Haar-Prometheus transforms; Edge detection and compression of color images; Conclusion; Acknowledgments; References. Selected Problems; Various Authors.- Transformations of Euclidean Space and Clifford Geometric; Algebra; References; On the Distribution of Kloosterman Sums on Polynomials over Quaternions; References; Harmonic Sliding Analysis Problems; References; Spectral Analysis under Conditions of Uncertainty; A Canonical Basis for Maximal Tori of the Reductive Centrizer of a Nilpotent Element; References; 6 The Quantum Chaos Conjecture References; Four Problems in Radar; Topic Index; Author Index