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Relativistic and Electron Correlation Effects in Molecules of Heavy Elements | 1 | |
Polyatomic Molecular Dirac-Hartree-Fock Calculations with Gaussian Basis Sets: Theory, Implementation and Applications | 17 | |
Molecular Electronic Structure Calculations based on the Dirac-Coulomb-(Breit) Hamiltonian | 59 | |
Electronic Structure of Molecules, Clusters and Surfaces using Ab Initio Relativistic Effective Core and Core/Valence Polarization Potentials | 71 | |
Configuration Interaction Wave Functions | 105 | |
Full Configuration Interaction and Moller-Plesset Theory | 133 | |
A Discussion of Some Aspects of the MCSCF Method | 161 | |
Electron Correlation in Molecules Using Direct Second Order MCSCF | 179 | |
Algebraic Approach to Coupled Cluster Theory | 207 | |
Correlated and Non-Correlated Wave Functions for Organometallics | ||
Modern Tools for Including Electron Correlation in Electronic Structure Studies: Hondo and Chem-Station | 315 | |
Multiconfigurational Perturbation Theory | 339 | |
Density Functional Theory, The Modern Treatment of Electron Correlations | 367 | |
Density Functional Theory, Its Gaussian Implementation and Applications to Complex Systems | 411 | |
An Introduction to GUGA in the Columbus Program System | 447 | |
The Unitary Group Approach in Context | 461 | |
Participants | 471 | |
Index | 477 |
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