Computational PhysicsCambridge University Press, 22.03.2007 - 620 Seiten First published in 2007, this second edition describes the computational methods used in theoretical physics. New sections were added to cover finite element methods and lattice Boltzmann simulation, density functional theory, quantum molecular dynamics, Monte Carlo simulation, and diagonalisation of one-dimensional quantum systems. It covers many different areas of physics research and different computational methodologies, including computational methods such as Monte Carlo and molecular dynamics, various electronic structure methodologies, methods for solving partial differential equations, and lattice gauge theory. Throughout the book the relations between the methods used in different fields of physics are emphasised. Several new programs are described and can be downloaded from www.cambridge.org/9781107677135. The book requires a background in elementary programming, numerical analysis, and field theory, as well as undergraduate knowledge of condensed matter theory and statistical physics. It will be of interest to graduate students and researchers in theoretical, computational and experimental physics. |
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approximation atoms average basis functions Boltzmann boundary conditions calculate Chapter cluster configuration consider constant coordinates correlation function Coulomb defined degrees of freedom denotes density density matrix derivative described detailed balance determined diagonalisation difficult dimensions discretisation distribution efficient eigenvalues ensemble equations of motion equilibrium error evaluated exchange correlation exponent fermion field theory find finding finite first fixed fluid force free energy Gaussian given Green’s function grid Hamiltonian Hartree—Fock infinite integration interaction Ising model kinetic energy lattice linear matrix elements molecular dynamics molecule Monte Carlo method neighbour normalisation nuclei obtain operator orbitals overlap matrix parameters particles partition function phase space Phys physical positions potential problem procedure pseudopotential quantum random number renormalisation right hand side satisfies Schrodinger equation Section simulation Slater determinant solution solving spin step symmetry temperature transfer matrix vector velocity Verlet algorithm wave function