Relativistic and Electron Correlation Effects in Molecules and Solids

Hardcover

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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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 the...

Format:HardcoverDimensions:486 pages, 10 × 7.01 × 0.27 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.