LEADER 06364nam 22007455 450 001 996466691603316 005 20200705203704.0 010 $a3-642-23518-2 024 7 $a10.1007/978-3-642-23518-4 035 $a(CKB)3400000000025656 035 $a(SSID)ssj0000609791 035 $a(PQKBManifestationID)11362948 035 $a(PQKBTitleCode)TC0000609791 035 $a(PQKBWorkID)10623552 035 $a(PQKB)10907084 035 $a(DE-He213)978-3-642-23518-4 035 $a(MiAaPQ)EBC3070431 035 $z(PPN)258846178 035 $a(PPN)159084571 035 $a(EXLCZ)993400000000025656 100 $a20120118d2012 u| 0 101 0 $aeng 135 $aurnn|008mamaa 181 $ctxt 182 $cc 183 $acr 200 10$aFundamentals of Time-Dependent Density Functional Theory$b[electronic resource] /$fedited by Miguel A.L. Marques, Neepa T. Maitra, Fernando M.S. Nogueira, E.K.U. Gross, Angel Rubio 205 $a1st ed. 2012. 210 1$aBerlin, Heidelberg :$cSpringer Berlin Heidelberg :$cImprint: Springer,$d2012. 215 $a1 online resource (XXXII, 559 p. 72 illus.) 225 1 $aLecture Notes in Physics,$x0075-8450 ;$v837 300 $aBibliographic Level Mode of Issuance: Monograph 311 $a3-642-23517-4 320 $aIncludes bibliographic references (p. 499-554) and index. 327 $aPart I Theory and Experiment - Why We Need TDDFT -- Part II Basic Theory -- PartIII Advanced Concepts -- Part IV Real-Time Dynamics -- Part V Numerical Aspects -- Part VI TDDFT vs Other Theoretical Techniques. 330 $aThere have been many significant advances in time-dependent density functional theory over recent years, both in enlightening the fundamental theoretical basis of the theory, as well as in computational algorithms and applications. This book, as successor to the highly successful volume Time-Dependent Density Functional Theory (Lect. Notes Phys. 706, 2006) brings together for the first time all recent developments in a systematic and coherent way.  First, a thorough pedagogical presentation of the fundamental theory is given, clarifying aspects of the original proofs and theorems, as well as presenting fresh developments that extend the theory into new realms?such as alternative proofs of the original Runge-Gross theorem, open quantum systems, and dispersion forces to name but a few. Next, all of the basic concepts are introduced sequentially and building in complexity, eventually reaching the level of open problems of interest. Contemporary applications of the theory are discussed, from real-time coupled-electron-ion dynamics, to excited-state dynamics and molecular transport. Last but not least, the authors introduce and review recent advances in computational implementation, including massively parallel architectures and graphical processing units. Special care has been taken in editing this volume as a multi-author textbook, following a coherent line of thought, and making all the relevant connections between chapters and concepts consistent throughout. As such it will prove to be the text of reference in this field, both for beginners as well as expert researchers and lecturers teaching advanced quantum mechanical methods to model complex physical systems, from molecules to nanostructures, from biocomplexes to surfaces, solids and liquids. From the reviews of LNP 706: ?This is a well structured text, with a common set of notations and a single comprehensive and up-to-date list of references, rather than just a compilation of research articles. Because of its clear organization, the book can be used by novices (basic knowledge of ground-state DFT is assumed) and experienced users of TD-DFT, as well as developers in the field.? (Anna I. Krylov, Journal of the American Chemical Society, Vol. 129 (21), 2007)  ?This book is a treasure of knowledge and I highly recommend it. Although it is a compilation of chapters written by many different leading researchers involved in development and application of TDDFT, the contributors have taken great care to make sure the book is pedagogically sound and the chapters complement each other [...]. It is highly accessible to any graduate student of chemistry or physics with a solid grounding in many-particle quantum mechanics, wishing to understand both the fundamental theory as well as the exponentially growing number of applications. [...]  In any case, no matter what your background is, it is a must-read and an excellent reference to have on your shelf.? Amazon.com, October 15, 2008, David Tempel (Cambridge, MA). 410 0$aLecture Notes in Physics,$x0075-8450 ;$v837 606 $aPhysics 606 $aChemistry, Physical and theoretical 606 $aCondensed matter 606 $aAtomic structure   606 $aMolecular structure  606 $aNumerical and Computational Physics, Simulation$3https://scigraph.springernature.com/ontologies/product-market-codes/P19021 606 $aTheoretical and Computational Chemistry$3https://scigraph.springernature.com/ontologies/product-market-codes/C25007 606 $aCondensed Matter Physics$3https://scigraph.springernature.com/ontologies/product-market-codes/P25005 606 $aAtomic/Molecular Structure and Spectra$3https://scigraph.springernature.com/ontologies/product-market-codes/P24017 615 0$aPhysics. 615 0$aChemistry, Physical and theoretical. 615 0$aCondensed matter. 615 0$aAtomic structure  . 615 0$aMolecular structure . 615 14$aNumerical and Computational Physics, Simulation. 615 24$aTheoretical and Computational Chemistry. 615 24$aCondensed Matter Physics. 615 24$aAtomic/Molecular Structure and Spectra. 676 $a530.1 702 $aMarques$b Miguel A.L$4edt$4http://id.loc.gov/vocabulary/relators/edt 702 $aMaitra$b Neepa T$4edt$4http://id.loc.gov/vocabulary/relators/edt 702 $aNogueira$b Fernando M.S$4edt$4http://id.loc.gov/vocabulary/relators/edt 702 $aGross$b E.K.U$4edt$4http://id.loc.gov/vocabulary/relators/edt 702 $aRubio$b Angel$4edt$4http://id.loc.gov/vocabulary/relators/edt 906 $aBOOK 912 $a996466691603316 996 $aFundamentals of Time-Dependent Density Functional Theory$9855613 997 $aUNISA