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000845489 019__ $$a1048285321$$a1048433080$$a1049591205
000845489 020__ $$a9783319962801$$q(electronic book)
000845489 020__ $$a3319962809$$q(electronic book)
000845489 020__ $$z9783319962795
000845489 020__ $$z3319962795
000845489 035__ $$aSP(OCoLC)on1047959826
000845489 035__ $$aSP(OCoLC)1047959826$$z(OCoLC)1048285321$$z(OCoLC)1048433080$$z(OCoLC)1049591205
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000845489 050_4 $$aQC680
000845489 066__ $$c(S
000845489 08204 $$a530.14/33$$223
000845489 1001_ $$aRizzi, Valerio,$$eauthor.
000845489 24510 $$aReal-time quantum dynamics of electron-phonon systems /$$cValerio Rizzi.
000845489 264_1 $$aCham, Switzerland :$$bSpringer,$$c2018.
000845489 300__ $$a1 online resource.
000845489 336__ $$atext$$btxt$$2rdacontent
000845489 337__ $$acomputer$$bc$$2rdamedia
000845489 338__ $$aonline resource$$bcr$$2rdacarrier
000845489 4901_ $$aSpringer theses
000845489 500__ $$a"Doctoral thesis accepted by the Queen's University Belfast, Belfast, UK."
000845489 504__ $$aIncludes bibliographical references.
000845489 5050_ $$aIntro; Supervisors' Foreword; Abstract; Acknowledgements; Contents; Abbreviations; 1 Introduction; References; 2 Physical Motivation; 2.1 Radiation Damage; 2.1.1 Radiation Damage in Metals; 2.1.2 Radiation Damage in Biological Systems; 2.2 Ultrashort Laser Heating of Metals; References; 3 Simulating Electrons and Phonons: Effective Temperature Methods; 3.1 An Effective Temperature Model for Radiation Cascades; 3.2 The Two-Temperature Model (2TM); 3.3 The 2TM in MD Simulations; 3.3.1 Augmented MD Models, the Langevin Equation; 3.3.2 Inhomogeneous Models; References
000845489 5058_ $$a5.8 Implementing ECEID in a Computer Simulation5.8.1 Code Breakdown; References; 6 ECEID Validation; 6.1 Comparison with an Exact Simulation; 6.1.1 An Exact Limit on a 2-Level System with 1 Oscillator; 6.1.2 Extension to a 3/Many-Level System with 2 Oscillators; 6.2 Mimicking an Extended System and Energy Conservation; 6.3 Validating the Open Boundaries; 6.4 Joule Heating; 6.4.1 A Microscopic Ohm's Law; 6.4.2 Onsite Disorder; 6.5 Code Performance; References; 7 Thermalization with ECEID; 7.1 The System; 7.2 An Entropic Definition of Temperature; 7.3 Comparison with Ehrenfest Dynamics
000845489 5058_ $$a7.4 Results7.4.1 Thermalization; 7.4.2 Population Inversion; 7.4.3 Kinetic Model; References; 8 Inelastic Electron Injection in Water; 8.1 Water Molecule; 8.1.1 A Simple Water Model; 8.1.2 Embedding Setup; 8.1.3 Elastic Transmission; 8.1.4 ECEID Comparison with Elastic Averages; 8.1.5 The Landauer and the High Mass Limit; 8.1.6 Current Assisted Phonon Heating; 8.2 Water Chain; 8.2.1 The Model; 8.2.2 Simulation Details; 8.2.3 Electron-Pulse Injection; 8.2.4 Electron-Gun Injection; 8.2.5 Eigenstate Lifetime and Band Edge Trapping; References; 9 A New Development: ECEID xp
000845489 506__ $$aAccess limited to authorized users.
000845489 588__ $$aOnline resource; title from PDF title page (SpringerLink, viewed August 9, 2018).
000845489 650_0 $$aQuantum electrodynamics.
000845489 650_0 $$aElectron-phonon interactions.
000845489 77608 $$iPrint version: $$z3319962795$$z9783319962795$$w(OCoLC)1041523258
000845489 830_0 $$aSpringer theses.
000845489 852__ $$bebk
000845489 85640 $$3SpringerLink$$uhttps://univsouthin.idm.oclc.org/login?url=http://link.springer.com/10.1007/978-3-319-96280-1$$zOnline Access$$91397441.1
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000845489 980__ $$aBIB
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000845489 983__ $$aOnline
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