000			04710nam a22005295i 4500
001			978-3-540-34460-5
003			DE-He213
005			20161121231141.0
007			cr nn 008mamaa
008			100301s2007 gw | s |||| 0|eng d
020			_a9783540344605 _9978-3-540-34460-5
024	7		_a10.1007/978-3-540-34460-5 _2doi
050		4	_aQD450-882
072		7	_aPNR _2bicssc
072		7	_aSCI013050 _2bisacsh
082	0	4	_a541 _223
245	1	0	_aQuantum Dynamics of Complex Molecular Systems _h[electronic resource] / _cedited by David A. Micha, Irene Burghardt.
264		1	_aBerlin, Heidelberg : _bSpringer Berlin Heidelberg, _c2007.
300			_aXIII, 429 p. _bonline resource.
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_aonline resource _bcr _2rdacarrier
347			_atext file _bPDF _2rda
490	1		_aSpringer Series in Chemical Physics, _x0172-6218 ; _v83
505	0		_aComplex Molecular Phenomena -- Photoexcitation Dynamics on the Nanoscale -- Ultrafast Exciton Dynamics in Molecular Systems -- Exciton and Charge-Transfer Dynamics in Polymer Semiconductors -- Dynamics of Resonant Electron Transfer in the Interaction Between an Atom and a Metallic Surface -- Nonadiabatic Multimode Dynamics at Symmetry-Allowed Conical Intersections -- Non-Markovian Dynamics at a Conical Intersection: Ultrafast Excited-State Processes in the Presence of an Environment -- Density Matrix Treatment of Electronically Excited Molecular Systems: Applications to Gaseous and Adsorbate Dynamics -- Quantum Dynamics of Ultrafast Molecular Processes in a Condensed Phase Environment -- New Methods for Quantum Molecular Dynamics in Large Systems -- Decoherence in Combined Quantum Mechanical and Classical Mechanical Methods for Dynamics as Illustrated for Non-Born–Oppenheimer Trajectories -- Time-Dependent, Direct, Nonadiabatic, Molecular Reaction Dynamics -- The Semiclassical Initial Value Series Representation of the Quantum Propagator -- Quantum Statistical Dynamics with Trajectories -- Quantum–Classical Reaction Rate Theory -- Linearized Nonadiabatic Dynamics in the Adiabatic Representation -- Atom–Surface Diffraction: A Quantum Trajectory Description -- Hybrid Quantum/Classical Dynamics Using Bohmian Trajectories -- Quantum Hydrodynamics and a Moment Approach to Quantum–Classical Theory.
520			_aQuantum phenomena are ubiquitous in complex molecular systems - as revealed by many experimental observations based upon ultrafast spectroscopic techniques - and yet remain a challenge for theoretical analysis. The present volume, based on a May 2005 workshop, examines and reviews the state-of-the-art in the development of new theoretical and computational methods to interpret the observed phenomena. Emphasis is on complex molecular processes involving surfaces, clusters, solute-solvent systems, materials, and biological systems. The research summarized in this book shows that much can be done to explain phenomena in systems excited by light or through atomic interactions. It demonstrates how to tackle the multidimensional dynamics arising from the atomic structure of a complex system, and addresses phenomena in condensed phases as well as phenomena at surfaces. The chapters on new methodological developments cover both phenomena in isolated systems, and phenomena which involve the statistical effects of an environment, such as fluctuations and dissipation. The methodology part explores new rigorous ways to formulate mixed quantum-classical dynamics in many dimensions, along with new ways to solve a many-atom Schroedinger equation, or the Liouville-von Neumann equation for the density operator, using trajectories and ideas related to hydrodynamics. Part I treats applications to complex molecular systems, and Part II covers new theoretical and computational methods.
650		0	_aChemistry.
650		0	_aPhysical chemistry.
650		0	_aChemistry, Physical and theoretical.
650		0	_aAtoms.
650		0	_aPhysics.
650		0	_aMaterials science.
650	1	4	_aChemistry.
650	2	4	_aPhysical Chemistry.
650	2	4	_aAtomic, Molecular, Optical and Plasma Physics.
650	2	4	_aMaterials Science, general.
650	2	4	_aTheoretical and Computational Chemistry.
700	1		_aMicha, David A. _eeditor.
700	1		_aBurghardt, Irene. _eeditor.
710	2		_aSpringerLink (Online service)
773	0		_tSpringer eBooks
776	0	8	_iPrinted edition: _z9783540344582
830		0	_aSpringer Series in Chemical Physics, _x0172-6218 ; _v83
856	4	0	_uhttp://dx.doi.org/10.1007/978-3-540-34460-5
912			_aZDB-2-CMS
950			_aChemistry and Materials Science (Springer-11644)
999			_c509308 _d509308