000			03144nam a22003618i 4500
001			CR9780511736230
003			UkCbUP
005			20200124160302.0
006			m|||||o||d||||||||
007			cr||||||||||||
008			100330s2011||||enk o ||1 0|eng|d
020			_a9780511736230 (ebook)
020			_z9781107001701 (hardback)
040			_aUkCbUP _beng _erda _cUkCbUP
050	0	0	_aQC176.8.N35 _bV37 2011
082	0	0	_a530.0285 _222
100	1		_aVarga, Kálmán, _d1963- _eauthor.
245	1	0	_aComputational nanoscience : _bapplications for molecules, clusters, and solids / _cKálmán Varga and Joseph A. Driscoll.
264		1	_aCambridge : _bCambridge University Press, _c2011.
300			_a1 online resource (xii, 431 pages) : _bdigital, PDF file(s).
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_aonline resource _bcr _2rdacarrier
500			_aTitle from publisher's bibliographic system (viewed on 05 Oct 2015).
505	8		_aMachine 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.
520			_aComputer 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 computational physics, quantum mechanics, atomic and molecular physics, and condensed matter theory. It contains a wide variety of practical examples of varying complexity to help readers at all levels of experience. An algorithm library in Fortran 90, available online at www.cambridge.org/9781107001701, implements the advanced computational approaches described in the text to solve physical problems.
650		0	_aNanostructures _xData processing.
650		0	_aPhysics _xData processing.
650		0	_aComputer algorithms.
700	1		_aDriscoll, Joseph Andrew, _d1974- _eauthor.
776	0	8	_iPrint version: _z9781107001701
856	4	0	_uhttps://doi.org/10.1017/CBO9780511736230
999			_c520497 _d520495