Computer Simulation of Liquids
A first in its field, this book is both an introduction to computer simulation of liquids for upper level undergraduates and a how-to guide for specialists. The authors discuss the latest simulation techniques of molecular dynamics and the Monte Carlo methods as well as how to avoid common programming pitfalls. Theoretical concepts and practical programming advice are amply reinforced with examples of computer simulation in action and samples of Fortran code. The authors have also included a wide selection of programs and routines on microfiche to aid chemists, physicists, chemical engineers, and computer scientists, as well as graduate and advanced students in chemistry.
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periodic boundary conditions and the code are explained in this book.
Classic book about computer simulation! MC and MD are all here in details. Best computer simulation book ever, although mainly dealing with classical methods and in Fortran.
B second virial coefficient 1 4
n possible outcome or state label 4
mm Wigner rotation matrix 2
O octopole moment 1 3
P total linear momentum 2
ADVANCED SIMULATION TECHNIQUES
NONEQUILIBRIUM MOLECULAR DYNAMICS
P projection operator 9
APPENDIX A COMPUTERS AND COMPUTER
APPENDIX B REDUCED UNITS
MONTE CARLO METHODS
g constraint force 3
molecular moment of inertia 2
SOME TRICKS OF THE TRADE
0 instantaneous pressure 24
HOW TO ANALYSE THE RESULTS
? instantaneous pressure tensor 2