Modern electronic structure theory  pt. 1 ~ pt. 2

editor, David R. Yarkony

[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).

「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).

「Nielsen BookData」より

この本の情報

書名 Modern electronic structure theory
著作者等 Yarkony, David R.
シリーズ名 Advanced series in physical chemistry
巻冊次 pt. 1
pt. 2
出版元 World Scientific
刊行年月 c1995
ページ数 2 v. (xiii, 1462 p.)
大きさ 23 cm
ISBN 9810219598
9810219601
9810221088
9810229879
9810229887
9810213182
NCID BA26358557
※クリックでCiNii Booksを表示
言語 英語
出版国 シンガポール
この本を: 
このエントリーをはてなブックマークに追加

このページを印刷

外部サイトで検索

この本と繋がる本を検索

ウィキペディアから連想