000			02283nam a2200241Ia 4500
001			7219
003			IN-BhIIT
005			20240828114814.0
008			151218s9999 xx 000 0 und d
020			_a9783642140891
040			_aCLIITBBS
041			_aeng
082	0	0	_a530.15 _bENG/D
100			_aEngel, Eberhard _eauthor _99915
245	1	0	_aDensity Functional Theory : _ba practical introduction / _cby David S. Sholl and Janice A. Steckel
260			_aNew jersey : _bJhon wiley & Sons,, _c2009.
300			_aix,238 p. : _bill. ; _c23 c.m
504			_aIncludes Index
520			_aDensity Functional Theory (DFT) has firmly established itself as the workhorse for atomic-level simulations of condensed phases, pure or composite materials and quantum chemical systems. This work offers a rigorous and detailed introduction to the foundations of this theory, up to and including such advanced topics as orbital-dependent functionals as well as both time-dependent and relativistic DFT. Given the many ramifications of contemporary DFT, the text concentrates on the self-contained presentation of the basics of the most widely used DFT variants: this implies a thorough discussion of the corresponding existence theorems and effective single particle equations, as well as of key approximations utilized in implementations. The formal results are complemented by selected quantitative results, which primarily aim at illustrating the strengths and weaknesses of particular approaches or functionals. The structure and content of this book allow a tutorial and modular self-study approach: the reader will find that all concepts of many-body theory which are indispensable for the discussion of DFT - such as the single-particle Green's function or response functions - are introduced step by step, along with the actual DFT material. The same applies to basic notions of solid state theory, such as the Fermi surface of inhomogeneous, interacting systems. In fact, even the language of second quantization is introduced systematically in an Appendix for readers without formal training in many-body theory.
650			_aDensity functionals. _vMathematical physics. _xQuantum chemistry. _99916
700			_aDreizler, Reiner M. _ejoint author _924485
942			_cTRB _013
999			_c5851 _d5851