Modern electronic structure theory
著者
書誌事項
Modern electronic structure theory
(Advanced series in physical chemistry, v. 2)
World Scientific, c1995
- : set : hard
- : set : pbk
- pt. 1 : hard
- pt. 1 : pbk
- pt. 2 : hard
- pt. 2 : pbk
大学図書館所蔵 件 / 全23件
-
pt. 1 : hard431.19||Y 59||1000000008470,
pt. 2 : hard431.19||Y 59||2000000008471 OPAC
-
名古屋大学 理学 図書室理図書
pt. 1 : hard431.08||A16||2-141182949,
pt. 1 : pbk431.08||A16||2-141529695, pt. 2 : hard431.08||A16||2-241182950, pt. 2 : pbk431.08||A16||2-241528386 -
pt. 1 : hard429||v.1674109,
pt. 1 : pbk429||v.1674262, pt. 2 : hard429||v.2674110, pt. 2 : pbk429||v.2674261 -
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注記
Includes bibliographical references and index
内容説明・目次
- 巻冊次
-
: set : hard ISBN 9789810213183
内容説明
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 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).Polyatomic Systems ( D R Yarkony).
- 巻冊次
-
pt. 1 : hard ISBN 9789810219598
内容説明
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).
- 巻冊次
-
pt. 2 : hard ISBN 9789810219604
内容説明
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).
- 巻冊次
-
pt. 1 : pbk ISBN 9789810229870
内容説明
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).
- 巻冊次
-
pt. 2 : pbk ISBN 9789810229887
内容説明
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).
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