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内容大纲
P.O.J谢勒著的《计算物理学》(第2版)(英文版)是一部非常规范的高等计算物理教科书。内容包括用于计算物理学中的重要算法的简洁描述。本书第1部分介绍数值方法的基本理论,其中包含大量的习题和仿真实验。本书第2部分主要聚焦经典和量子系统的仿真等内容。
本书读者对象:计算物理等相关专业的研究生。 -
作者介绍
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目录
Part I Numerical Methods
1 Error Analysis
1.1 Machine Numbers and Rounding Errors
1.2 Numerical Errors of Elementary Floating Point Operations
1.2.1 Numerical Extinction
1.2.2 Addition
1.2.3 Multiplication
1.3 Error Propagation
1.4 Stability of lterative Algorithms
1.5 Example: Rotation
1.6 Truncation Error
1.7 Problems
2 Interpolation
2.1 Interpolating Functions
2.2 Polynomial Interpolation
2.2.1 lagrange Polynomials
2.2.2 Barycentric Lagrange Interpolation
2.2.3 Newton's Divided Differences
2.2.4 Neville Method
2.2.5 Error of Polynomial Interpolation
2.3 Splice Interpolation
2.4 Rational Interpolation
2.4.1 Pad6 Approximant
2.4.2 Barycentric Rational Interpolation
2.5 Multivariate Interpolation
2.6 Problems
3 Numerical Differentiation
3.1 One-Sided Difference Quotient
3.2 Central Difference Quotient
3.3 Extrapolation Methods
3.4 Higher Derivatives
3.5 Partial Derivatives of Multivariate Functions
3.6 Problems
4 Numerical Integration
4.1 Equidistant Sample Points
4.1.1 Closed Newton-Cotes Formulae
4.1.2 Open Newton-Cotes Formulae
4.1.3 Composite Newton-Cotes Rules
4.1.4 Extrapolation Method (Romberg Integration)
4.2 Optimized Sample Points
4.2.1 Clenshaw-Curtis Expressions
4.2.2 Gaussian Integration.
4.3 Problems
5 Systems of Inhomogeneous Linear Equations
5.1 Gaussian Elimination Method
5.1.1 Pivoting
5.1.2 Direct LU Decomposition
5.2 QR Decomposition
5.2.1 QR Decomposition by Orthogonalization
5.2.2 QR Decomposition by Householder Reflections
5.3 Linear Equations with Tridiagonal Matrix
5.4 Cyclic Tridiagonal Systems
5.5 Iterative Solution of Inhomogeneous Linear Equations
5.5.1 General Relaxation Method
5.5.2 Jacobi Method
5.5.3 Gauss-Seidel Method
5.5.4 Damping and Successive Over-Relaxation
5.6 Conjugate Gradients
5.7 Matrix Inversion
5.8 Problems
6 Roots and Extremai Points
6.1 Root Finding
6.1.1 Bisection
6.1.2 Regula Falsi (False Position) Method
6.1.3 Newton-Raphson Method
6.1.4 Secant Method
6.1.5 Interpolation
6.1.6 Inverse Interpolation
6.1.7 Combined Methods
6.1.8 Multidimensional Root Finding
6.1.9 Quasi-Newton Methods
6.2 Function Minimization
6.2.1 The Ternary Search MetlTod
6.2.2 The Golden Section Search Method (Brent's Method)
6.2.3 Minimization in Multidimensions
6.2.4 Steepest Descent Method
6.2.5 Conjugate Gradient Method
6.2.6 Newton-R~phson Method
6.2.7 Quasi-Newton Methods
6.3 Problems
7 Fourier Transformation
8 Random Numbers and Monte Carlo Methods
9 Eigenvalue Problems
10 Data Fitting
11 Discretization of Differential Equations
12 Equations of Motion
Part II Simulation of Classical and Quantum Systems
13 Rotational Motion
14 Molecular Mechanics
15 Thermodynamic Systems
16 Random Walk and Brownian Motion
17 Electrostatics
18 Waves
19 Diffusion
20 Nonlinear Systems
21 Simple Quantum Systems
Appendix I Performing the Computer Experiments
Appendix II Methods and Algorithms
References
Index
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