## Computational Methods in Physics, Chemistry and Biology: An IntroductionProviding an accessible introduction to a range of modern computational techniques, this book is perfect for anyone with only a limited knowledge of physics. It leads readers through a series of examples, problems, and practical-based tasks covering the basics to more complex ideas and techniques. The focus is placed on the dynamic area of modern physics, helping readers understand the power and uses of computational physics. * Leads the reader from a basic introduction to more sophisticated techniques * Provides the skill-building exercises necessary to tackle more complex problems * Applies essential techniques to a wide range of key problems |

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### Contents

Approximate Methods | 45 |

Matrix Methods | 71 |

Deterministic Simulations | 91 |

Stochastic Simulations | 115 |

Percolation Theory | 131 |

Evolutionary Methods | 149 |

Molecular Dynamics | 169 |

FORTRAN implementation of the shooting method | 189 |

Note for tutors | 195 |

References | 197 |

### Other editions - View all

Computational Methods in Physics, Chemistry and Biology: An Introduction Paul Harrison Limited preview - 2001 |

### Common terms and phrases

Algorithmic description analytical solutions approximation basis functions boundary conditions calculations CCode chapter chosen computational parameters consider constant deduce define e_0 diffusion coefficient distance effective infinity eigenstates electric field end main energy eigenvalues equilibrium evaluating example fittest genomes force genes genetic algorithm given Hamiltonian hence hydrogen atom illustrated in Fig immunisation rates implementation include math.h infected initial initialise int int interaction potential ip(z iterations kinetic energy linear combination loop lowest energy magnetic mass mathematical matrix elements molecular dynamics momentum normalised number of basis number of electrons odd-parity one-dimensional output parabolic potential particle percolation theory perturbation theory physical population positions potential energy printf proportion quantum dots quantum mechanics quantum wire random number sequence randomly represent rocket scattering channel Schrodinger equation Schrodinger's equation second-order Section seed semiconductor shooting method simple spatial coordinate step length stochastic summation trial wave function two-dimensional unimmunised zero

### References to this book

Encyclopedia of Supramolecular Chemistry, Volume 2 J. L. Atwood,Jonathan W. Steed Limited preview - 2004 |