TY  - BOOK
AU  - Varga,Kalman
AU  - Driscoll,Joseph Andrew
TI  - Computational nanoscience: applications for molecules, clusters, and solids 
SN  - 9781107001701 (hardback)
AV  - QC176.8.N35 V37 2011
U1  - 530.0285 22
PY  - 2011///
CY  - Cambridge, New York
PB  - Cambridge University Press
KW  - Nanostructures
KW  - Data processing
KW  - Physics
KW  - Computer algorithms
KW  - SCIENCE / Mathematical Physics
KW  - bisacsh
KW  - Vật lý
KW  - Cấu trúc Nano
KW  - Thuật toán
KW  - Xử lý dữ liệu
N1  - Includes bibliographical references (p. [409]-427) and index; 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
UR  - http://assets.cambridge.org/97811070/01701/cover/9781107001701.jpg
ER  -