Kálmán Varga, Dr Joseph A. DriscollCambridge University Press, 4/14/2011EAN 9781107001701, ISBN10: 1107001706Hardcover, 444 pages, 24.8 x 17.5 x 2.6 cmLanguage: EnglishComputer simulation is an indispensable research tool in modeling, understanding and predicting nanoscale phenomena. However, the advanced computer codes used by researchers are too complicated for graduate students wanting to understand computer simulations of physical systems. This book gives students the tools to develop their own codes. Describing advanced algorithms, the book is ideal for students in computational physics, quantum mechanics, atomic and molecular physics, and condensed matter theory. It contains a wide variety of practical examples of varying complexity to help readers at all levels of experience. An algorithm library in Fortran 90, available online at www.cambridge.org/9781107001701, implements the advanced computational approaches described in the text to solve physical problems.PrefacePart I. 1D Problems1. Variational solution of the Schrödinger equation2. Solution of bound state problems using a grid3. Solution of the Schrödinger equation for scattering states4. Periodic potentialsband structure in 1D5. Solution of time-dependent problems in quantum mechanics6. Solution of Poisson's equationPart II. 2D and 3D Systems7. 3D real space approachfrom quantum dots to Bose–Einstein condensates8. Variational calculations in 2Dquantum dots9. Variational calculations in 3Datoms and molecules10. Monte Carlo calculations11. Molecular dynamics simulations12. Tight binding approach to electronic structure calculations13. Plane wave density functional calculations14. Density functional calculations with atomic orbitals15. Real-space density functional calculations16. Time-dependent density functional calculations17. Scattering and transport in nanostructures18. Numerical linear algebraAppendixcode descriptionsReferencesIndex.
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