Relativistic and Electron Correlation Effects in Molecules and Solids by Gulzari MalliRelativistic and Electron Correlation Effects in Molecules and Solids by Gulzari Malli

Relativistic and Electron Correlation Effects in Molecules and Solids

EditorGulzari Malli

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Proceedings of a conference held in Vancouver, BC, in August 1992. Contents include relativistic and electron correlation effects in molecules of heavy elements, polyatomic molecular Dirac- Hartree-Fock calculation with Gaussian basis sets, configuration interaction wave functions, full configuration interaction and Moller- Plesset theory, some aspects of the MCSCF method, algebraic approach to coupled cluster theory, and correlated and non- correlated wave functions for organometallics. Annotation c. by Book News, Inc., Portland, Or.

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Title:Relativistic and Electron Correlation Effects in Molecules and SolidsFormat:HardcoverDimensions:486 pages, 10 × 7.01 × 0.03 inPublisher:Springer US

The following ISBNs are associated with this title:

ISBN - 10:0306446251

ISBN - 13:9780306446252

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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 Møller-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.