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Computational nanoscience : applications for molecules, clusters, and solids

Author: Kálmán Varga; Joseph Andrew Driscoll
Publisher: Cambridge, UK ; New York : Cambridge University Press, 2011.
Edition/Format:   eBook : Document : EnglishView all editions and formats
Database:WorldCat
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  Read more...
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Details

Genre/Form: Electronic books
Additional Physical Format: Print version:
Varga, Kálmán, 1963-
Computational nanoscience.
Cambridge, UK ; New York : Cambridge University Press, 2011
(DLC) 2010046409
(OCoLC)671710086
Material Type: Document, Internet resource
Document Type: Internet Resource, Computer File
All Authors / Contributors: Kálmán Varga; Joseph Andrew Driscoll
ISBN: 9781139065627 1139065629 9781139078214 1139078216 9781139080507 1139080504 9780511736230 0511736231
OCLC Number: 733045058
Description: xii, 431 p. : ill. ; 26 cm.
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.
Responsibility: Kálmán Varga and Joseph A. Driscoll.

Abstract:

Describes advanced algorithms for students in computational physics, quantum mechanics, atomic and molecular physics, and condensed matter theory.  Read more...
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