000			03307cam a2200361 a 4500
999			_c99510 _d99510
001			16523981
003			LDD
005			20181130155428.0
008			101029s2011 enka b 001 0 eng
010			_a 2010046409
020			_a9781107001701 (hardback)
040			_aDLC _cDLC _dDLC
042			_apcc
050	0	0	_aQC176.8.N35 _bV37 2011
082	0	0	_a530.0285 K126C _223
084			_aSCI040000 _2bisacsh
100	1		_aVarga, Kálmán, _d1963- _eauthor _9679
245	1	0	_aComputational nanoscience : _bapplications for molecules, clusters, and solids / _cKálmán Varga and Joseph A. Driscoll.
260			_aCambridge ; _aNew York : _bCambridge University Press, _c2011.
300			_axii, 431 p. : _bill. ; _c26 cm.
504			_aIncludes bibliographical references (p. [409]-427) and index.
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			_a"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 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"-- _cProvided by publisher.
650		0	_aNanostructures _xData processing. _9680
650		0	_aPhysics _xData processing. _973
650		0	_aComputer algorithms. _9681
650		7	_aSCIENCE / Mathematical Physics _2bisacsh. _9682
700	1		_aDriscoll, Joseph Andrew, _d1974- _eauthor _9683
856	4	2	_3Cover image _uhttp://assets.cambridge.org/97811070/01701/cover/9781107001701.jpg
906			_a7 _bcbc _corignew _d1 _eecip _f20 _gy-gencatlg
942			_2ddc _cBK _h530.0285 K126C