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Computational nanoscience :
"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 give...
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| Format: | Printed Book |
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Cambridge ; New York :
Cambridge University Press,
2011.
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| Online Zugang: | http://assets.cambridge.org/97811070/01701/cover/9781107001701.jpg |
Inhaltsangabe:
- Machine generated contents note: Preface; Part I. 1D 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 1D; 5. Solution of time-dependent problems in quantum mechanics; 6. Solution of Poisson's equation; Part II. 2D and 3D Systems: 7. 3D real space approach: from quantum dots to Bose-Einstein condensates; 8. Variational calculations in 2D: quantum dots; 9. Variational calculations in 3D: 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.