Computational Nanoscience [electronic resource] : Applications for Molecules, Clusters, and Solids.
Describes advanced algorithms for students in computational physics, quantum mechanics, atomic and molecular physics, and condensed matter theory.
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| Online Access: |
Full Text (via ProQuest) |
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| Format: | Electronic eBook |
| Language: | English |
| Published: |
Leiden :
Cambridge University Press,
2011.
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Table of Contents:
- Cover; Half-title; Title; Copyright; Dedication; Contents; Preface; Part I: One-dimensional problems; 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; Part II: Two- and three-dimensional systems; 7 Three-dimensional real-space approach: from quantum dots to Bose-Einstein condensates.
- 8 Variational calculations in two dimensions: quantum dots9 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; Appendix: Code descriptions; References; Index.