Aspects of Many-Body Effects in Molecules and Extended Systems: Proceedings of the Workshop-Cum-Symposium Held in Calcutta, February 1-10, 1988

ISBN-13: 9783540507659 / Angielski / Miękka / 1989 / 565 str.

Debashis Mukherjee

Opis

This volume features invited lectures presented in the workshop-cum-symposium on aspects of many-body effects in molecules and extended systems, Calcutta, February 1 - 10, 1988. The organizers invited leading experts to present recent developments of many-body methods as applied to molecules and condensed systems. The panorama portrayed is quite broad, but by no means exhaustive. The emphasis is undoubtedly on a "molecular point of view."

Spis treści

I. Separability in Many-Electron Problem: Size Extensivity and Size-Consistency.- Separability Problem in General Many-Electron Systems.- Quantum Chemistry in Fock Space.- Size Extensivity Correction for CI Energies Based on Complete Active Space Reverence Functions.- II. Many-Body Perturbation Theory and Coupled-Cluster Theory of Atomic and Molecular Electronic Structure.- Dynamic Variational Principles Extended Coupled Cluster Techniques.- SAC-CI Calculations of the Excited and Ionized States of Conjugated Molecules.- Atomic and Molecular Application of Effective Hamiltonian Formalism in Complete and Incomplete Model Spaces.- Applications of Multi-Reference Coupled-Cluster Theory.- Applications of the Open-Shell Coupled-Cluster Method.- An Explicitly Connected MBPT for Incomplete Model Space.- III. Propagators in Bound States and Resonances.- Propagators for Molecular Electronic Spectra.- Transition Moments in RPA-like Approximations.- Application of One Electron Propagator Method in the Treatment of Resonances.- IV. Condensed Matter and Related Topics.- Quantum Fluid Dynamics: An Extended Coupled-Cluster Treatment.- Quasiparticles in Extended Systems A Coupled-Cluster Approach.- Electronic Structure and Spectra of Polyenes.- Proton Transfer in Water and Ice: Solitonic Models for Structural Defects in the Hydrogen-Bonded Network.- V. Many-Body Methods in Dynamical Processes.- On the Development of Time Dependent Cluster Expansion Techniques for Molecular Dynamics.- Electrochemical Electron Transfer: Accounting for Non-Adiabaticity Using a Bosonised Hamiltonian.- VI. Relativistic Methods with Applications.- Generalization of Kato’s Cusp Conditions to the Relativistic Case.- Relativistic and Non-Relativistic Many-Body Procedure, Applied to Atomic Systems.- Relativistic Equations of Motion Method.- Relativistic Many-Body Theory of Electric Dipole Moment of Atoms due to Parity and Time-Reversal Violation.- VII. Group-Theoretic Techniques.- Spinor Basis in Electron Correlation Studies.- On the Unitary Group and Associated Operators.- VIII. Few-Body Methods, Large-N Expansion and Other Mathematical Topics.- Hyperspherical Harmonics Methods for Few-Many-Body Problems.- Large-N Expansions.- Application of Catastrophe Theory to Molecules.- IX. Densities and Density-Functionals.- Modern Developments in the Energy Density Functional Theory of Many-Electron Systems.- Interconnections between Electron Densities in Position and Momentum Spaces.- Aspects of Density Functional Approach to Many-Electron Systems.- List of Participants.