Volume 1: The Chemical Applicability of Standard Methods in Ab Initio Molecular Quantum Mechanics (H F Schaefer III et al)
Multiconfigurational Second-Order Perturbation Theory (K Andersson & B 0 Roos)
Direct Methods in Electronic Structure Theory (J Almlof )
Ab Initio Calculation of Spin-Orbit Effects in Molecules Including Electron Correlation (B Hess et al.)
Theoretical Studies of Fullerenes (G E Scuseria)
Main Group Organometallic Chemistry - Bonding Structure and Reactivity (M S Gordon)
The Analytic Gradient Method for Configuration Interaction Wave Functions (R Shepard)
Geometry Optimization on Potential Energy Surfaces (H B Schlegel)
The Incorporation of Modern Electronic Structure Methods in Electron-Molecule Collision Problems - Variational Calculations Using the Complex Kohn Method (T N Rescigno et al)
Exact Expansion Methods for Atomic Hydrogen in an External Electrostatic Field - Divergent Perturbation Series, Borel Summability, Semiclassical Approximation and Expansion of Photoionization Cross Section Over Resonance Eigenvalues (H J Silverstone)
Electronic Structure Aspects of Nonadiabatic Processes in Polyatomic Systems (D R Yarkony).
「Nielsen BookData」より
[目次]
Volume 2: Gaussian Basis Sets and Molecular Integrals (T Helgaker & P Taylor)
Time Dependent Response Theory with Applications to Self Consistent Field and Multiconfiguration Self Consistent Field Wave Functions (J. Olsen & P Jorgensen)
Evaluation of Bond Energies to Chemical Accuracy by Quantum Chemical Techniques (K Raghavachari & L A Curtiss)
Exchange-Correlation Approximations in Density-Functional Theory (A D Becke)
Coupled Cluster Theory - An Overview of Recent Developments (P J Bartlett)
Pseudospectral Methods Applied to the Electron Correlation Problem (T J Martinez & E A Carter)
Quasidegenerate Perturbation Theory Using Effective Hamiltonians (M Hoffmann)
Analytical Derivative Techniques and the Calculation of Vibrational Spectra (P Pulay)
Applications of Molecular Structure Methods to Problems in Astrochemistry (K P Kirby)
The Application of Ab Initio Electronic Structure Calculations to Molecules Containing Transition Metal Atoms (C W Bauschlicher Jr et al)
Studies of Electron Molecule Collisions on Massively Parallel Computers (C Winstead & V McKoy).
「Nielsen BookData」より
[目次]
Volume 2: Gaussian Basis Sets and Molecular Integrals (T Helgaker & P Taylor)
Time Dependent Response Theory with Applications to Self Consistent Field and Multiconfiguration Self Consistent Field Wave Functions (J. Olsen & P Jorgensen)
Evaluation of Bond Energies to Chemical Accuracy by Quantum Chemical Techniques (K Raghavachari & L A Curtiss)
Exchange-Correlation Approximations in Density-Functional Theory (A D Becke)
Coupled Cluster Theory - An Overview of Recent Developments (P J Bartlett)
Pseudospectral Methods Applied to the Electron Correlation Problem (T J Martinez & E A Carter)
Quasidegenerate Perturbation Theory Using Effective Hamiltonians (M Hoffmann)
Analytical Derivative Techniques and the Calculation of Vibrational Spectra (P Pulay)
Applications of Molecular Structure Methods to Problems in Astrochemistry (K P Kirby)
The Application of Ab Initio Electronic Structure Calculations to Molecules Containing Transition Metal Atoms (C W Bauschlicher Jr et al)
Studies of Electron Molecule Collisions on Massively Parallel Computers (C Winstead & V McKoy).
「Nielsen BookData」より
[目次]
Volume 1: The Chemical Applicability of Standard Methods in Ab Initio Molecular Quantum Mechanics (H F Schaefer III et al)
Multiconfigurational Second-Order Perturbation Theory (K Andersson & B 0 Roos)
Direct Methods in Electronic Structure Theory (J Almlof )
Ab Initio Calculation of Spin-Orbit Effects in Molecules Including Electron Correlation (B Hess et al.)
Theoretical Studies of Fullerenes (G E Scuseria)
Main Group Organometallic Chemistry - Bonding Structure and Reactivity (M S Gordon)
The Analytic Gradient Method for Configuration Interaction Wave Functions (R Shepard)
Geometry Optimization on Potential Energy Surfaces (H B Schlegel)
The Incorporation of Modern Electronic Structure Methods in Electron-Molecule Collision Problems - Variational Calculations Using the Complex Kohn Method (T N Rescigno et al)
Exact Expansion Methods for Atomic Hydrogen in an External Electrostatic Field - Divergent Perturbation Series, Borel Summability, Semiclassical Approximation and Expansion of Photoionization Cross Section Over Resonance Eigenvalues (H J Silverstone)
Electronic Structure Aspects of Nonadiabatic Processes in Polyatomic Systems (D R Yarkony).