Franklin: Record - Computational nanoscience : applications for molecules, clusters, and solids / Kálmán Varga and Joseph A. Driscoll.

Franklin: Penn Libraries Catalog

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Computational nanoscience : applications for molecules, clusters, and solids / Kálmán Varga and Joseph A. Driscoll.

Author/Creator:
Varga, Kálmán, 1963-
Publication:
Cambridge ; New York : Cambridge University Press, 2011.
Format/Description:
Book
xii, 431 p. : ill. ; 26 cm.
Subjects:
Nanostructures -- Data processing.
Physics -- Data processing.
Computer algorithms.
Summary:
"Computer 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"-- Provided by publisher.
Contents:
1. Variational solution of the Schrödinger equation
2. Solution of bound state problems using a grid
3. Solution of the Schrödinger equation for scattering states
4. Periodic potentials: band structure in one dimension
5. Solution of time-dependent problems in quantum mechanics
6. Solution of Poisson's equation
7. Three-dimensional real-space approach: from quantum dots to Bose-Einstein condensates
8. Variational calculations in two dimensions: quantum dots
9. Variational calculations in three dimensions: atoms and molecules
10. Monte Carlo calculations
11. Molecular dynamics simulations
12. Tight-binding approach to electronic structure calculations
13. Plane wave density functional calculations
14. Density functional calculations with atomic orbitals
15. Real-space density functional calculations
16. Time-dependent density functional calculations
17. Scattering and transport in nanostructures
18. Numerical linear algebra.
Notes:
Includes bibliographical references (p. [409]-427) and index.
Local notes:
Acquired for the Penn Libraries with assistance from the Albert E. Visk, W'28, Memorial Book Fund.
Contributor:
Driscoll, Joseph Andrew, 1974-
Albert E. Visk, W'28, Memorial Book Fund.
ISBN:
9781107001701 (hardback)
1107001706 (hardback)
Web link:
Cover image
The Albert E. Visk, W'28, Memorial Book Fund Home Page
The Albert E. Visk, W'28, Memorial Book Fund Home Page  Bookplate