Research Catalog

Relativistic and electron correlation effects in molecules and solids

Title
Relativistic and electron correlation effects in molecules and solids / edited by G.L. Malli.
Publication
New York : Plenum Press, [1994], ©1994.

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Additional Authors
  • Malli, G. L.
  • North Atlantic Treaty Organization. Scientific Affairs Division.
  • NATO Advanced Study Institute on Relativistic and Electron Correlation Effects in Molecules and Solids (1992 : Vancouver, B.C.)
Description
viii, 478 pages : illustrations; 26 cm.
Series Statement
NATO ASI series. Series B, Physics ; v. 318
Uniform Title
NATO ASI series. Series B, Physics ; v. 318.
Subject
  • Electron configuration > Congresses
  • Solid state physics > Congresses
  • Molecules > Congresses
  • Electronic structure > Congresses
  • Wave functions > Congresses
Note
  • "Published in cooperation with NATO Scientific Affairs Division."
  • "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.
Bibliography (note)
  • Includes bibliographical references and index.
Contents
  • Relativistic and Electron Correlation Effects in Molecules of Heavy Elements / G. L. Malli -- Polyatomic Molecular Dirac-Hartree-Fock Calculations with Gaussian Basis Sets: Theory, Implementation and Applications / K. G. Dyall -- Molecular Electronic Structure Calculations based on the Dirac-Coulomb-(Breit) Hamiltonian / W. C. Nieuwpoort, P. J. C. Aerts and L. Visscher -- Electronic Structure of Molecules, Clusters and Surfaces using Ab Initio Relativistic Effective Core and Core/Valence Polarization Potentials / W. C. Ermler and 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, M. Costas, R. Erenwein, J.-Y. Kempf, M. Ulmschneider, P. de Vaal, T. Leininger, G.-H. Jeung, R. Wiest and Marc Benard -- Modern Tools for Including Electron Correlation in Electronic Structure Studies: Hondo and Chem-Station / M. Dupuis, S. Chin and A. Marquez -- Multiconfigurational Perturbation Theory / R. B. Murphy and R. P. Messmer -- Density Functional Theory, The Modern Treatment of Electron Correlations / E. K. U. Gross and S. Kurth -- Density Functional Theory, Its Gaussian Implementation and Applications to Complex Systems / D. R. Salahub, M. Castro and E. I. Proynov -- An Introduction to GUGA in the Columbus Program System / R. Shepard -- The Unitary Group Approach in Context / M. Schlesinger and R. D. Kent.
ISBN
0306446251
LCCN
93050141
OCLC
ocm29670858
Owning Institutions
Columbia University Libraries