Relativistic and Electron Correlation Effects in Molecules and Solids [E-Book] / edited by G. L. Malli.
Malli, G. L., (editor)
Boston, MA : Springer, 1994
VIII, 478 p. online resource.
englisch
9781489913401
10.1007/978-1-4899-1340-1
NATO ASI Series, Series B: Physics ; 318
Full Text
Table of Contents:
  • Relativistic and Electron Correlation Effects in Molecules of Heavy Elements
  • Polyatomic Molecular Dirac-Hartree-Fock Calculations with Gaussian Basis Sets: Theory, Implementation and Applications
  • Molecular Electronic Structure Calculations based on the Dirac-Coulomb-(Breit) Hamiltonian
  • Electronic Structure of Molecules, Clusters and Surfaces using Ab Initio Relativistic Effective Core and Core/Valence Polarization Potentials
  • Configuration Interaction Wave Functions
  • Full Configuration Interaction and Møller-Plesset Theory
  • A Discussion of Some Aspects of the MCSCF Method
  • Electron Correlation in Molecules Using Direct Second Order MCSCF
  • Algebraic Approach to Coupled Cluster Theory
  • Correlated and Non-Correlated Wave Functions for Organometallics
  • Modern Tools for Including Electron Correlation in Electronic Structure Studies: Hondo and Chem-Station
  • Multiconfigurational Perturbation Theory
  • Density Functional Theory, The Modern Treatment of Electron Correlations
  • Density Functional Theory, Its Gaussian Implementation and Applications to Complex Systems
  • An Introduction to GUGA in the Columbus Program System
  • The Unitary Group Approach in Context
  • Participants.