Kálmán Varga, Joseph A Driscoll
Computational Nanoscience
Applications for Molecules, Clusters, and Solids
Kálmán Varga, Joseph A Driscoll
Computational Nanoscience
Applications for Molecules, Clusters, and Solids
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Describes advanced algorithms for students in computational physics, quantum mechanics, atomic and molecular physics, and condensed matter theory.
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Describes advanced algorithms for students in computational physics, quantum mechanics, atomic and molecular physics, and condensed matter theory.
Produktdetails
- Produktdetails
- Verlag: Cambridge University Press
- Seitenzahl: 444
- Erscheinungstermin: 16. Mai 2011
- Englisch
- Abmessung: 254mm x 182mm x 27mm
- Gewicht: 1021g
- ISBN-13: 9781107001701
- ISBN-10: 1107001706
- Artikelnr.: 32872860
- Verlag: Cambridge University Press
- Seitenzahl: 444
- Erscheinungstermin: 16. Mai 2011
- Englisch
- Abmessung: 254mm x 182mm x 27mm
- Gewicht: 1021g
- ISBN-13: 9781107001701
- ISBN-10: 1107001706
- Artikelnr.: 32872860
Kálmán Varga is an Assistant Professor in the Department of Physics and Astronomy, Vanderbilt University. His main research interest is computational nanoscience, focusing on developing novel computational methods for electronic structure calculations.
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.
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.
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.
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.