出版商：John von Neumann Institute for Computing
语言：英语
书籍目录
- Industrial Challenges for Quantum Chemistry
- Ab Initio Treatment of Large Molecules
- Parallel Programming Models, Tools and Performance Analysis
- Basic Numerical Libraries for Parallel Systems
- Tools for Parallel Quantum Chemistry Software
- Ab Initio Methods for Electron Correlation in Molecules
- R12 Methods, Gaussian Geminals
- Direct Solvers for Symmetric Eigenvalue Problems
- Semiempirical Methods
- Hybrid Quantum Mechanics/Molecular Mechanics Approaches
- Subspace Methods for Sparse Eigenvalue Problems
- Computing Derivatives of Computer Programs
- Ab Initio Molecular Dynamics: Theory and Implementation
- Relativistic Electronic-Structure Calculations for Atoms and Molecules
- Effective Core Potentials
- Molecular Properties
- Tensors in Electronic Structure Theory: Basic Concepts and Applications to Electron Correlation Models
书籍简介
- Industrial Challenges for Quantum Chemistry
- Ab Initio Treatment of Large Molecules
- Parallel Programming Models, Tools and Performance Analysis
- Basic Numerical Libraries for Parallel Systems
- Tools for Parallel Quantum Chemistry Software
- Ab Initio Methods for Electron Correlation in Molecules
- R12 Methods, Gaussian Geminals
- Direct Solvers for Symmetric Eigenvalue Problems
- Semiempirical Methods
- Hybrid Quantum Mechanics/Molecular Mechanics Approaches
- Subspace Methods for Sparse Eigenvalue Problems
- Computing Derivatives of Computer Programs
- Ab Initio Molecular Dynamics: Theory and Implementation
- Relativistic Electronic-Structure Calculations for Atoms and Molecules
- Effective Core Potentials
- Molecular Properties
- Tensors in Electronic Structure Theory: Basic Concepts and Applications to Electron Correlation Models
本书pdf是 文字版 。