"Basic Numerical Methods in Physical Science"
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0]. Numerical vs. analytical methods
1] . Computer arithmetic
Function methods
2]
3]
4]
5]
6]
Matrix methods
7]
8]
9]
10]
11]
Advanced topics
12] Fourier transforms
13]
14]
Appendix:
A] compiling codes in Linux
B] Primitive Computer graphics
C] Numerical Recipes: how to
D] Basics of Parallel computing
E] Illustrated examples
1. HF and DFT for atoms
2. Normal mode analysis
3. Wavepacket propagation
4. 3D Orbitals
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choice of programming language: NONE !
since everyone has his/her own preference - and authors are quite neutral. But for the practical purpose we use C since we use NR in C, as our direct referenced book. Hence you will see the C in this book somewhere, but mostly as the Pseudocodes.
Supplementary material: from the DVD you will find the pseudocode implementation in C, Mathematica, Matlab, Fortran 90. We hope its enough!
Thursday, March 18, 2010
Wednesday, March 17, 2010
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