LEADER 04779nam 2200661 a 450 001 9910813113303321 005 20230803020400.0 010 $a1-118-57176-2 010 $a1-118-57175-4 010 $a1-299-40239-9 010 $a1-118-57180-0 035 $a(CKB)2550000001017880 035 $a(EBL)1157721 035 $a(OCoLC)833767060 035 $a(SSID)ssj0000904695 035 $a(PQKBManifestationID)11494221 035 $a(PQKBTitleCode)TC0000904695 035 $a(PQKBWorkID)10923887 035 $a(PQKB)10590324 035 $a(MiAaPQ)EBC1157721 035 $a(Au-PeEL)EBL1157721 035 $a(CaPaEBR)ebr10677863 035 $a(CaONFJC)MIL471489 035 $a(EXLCZ)992550000001017880 100 $a20130403d2013 uy 0 101 0 $aeng 135 $aurcn||||||||| 181 $ctxt 182 $cc 183 $acr 200 00$aAdvances in chemical physics$b[electronic resource] $hVolume 153 /$fedited by Stuart A. Rice, Aaron R. Dinner 205 $a2nd ed. 210 $aHoboken, N.J. $cWiley$d2013 215 $a1 online resource (599 p.) 225 1 $aAdvances in chemical physics ;$vv. 153 300 $aDescription based upon print version of record. 311 $a1-118-47786-3 320 $aIncludes bibliographical references and indexes. 327 $aAdvances In Chemical Physics; Contributors; Preface to The Series; Contents; Recent Advances in Ultrafast X-ray Absorption Spectroscopy of Solutions; I. Introduction; II. Experimental Methods; A. Steady-State XAS; 1. Transmission and Fluorescence Detection Modes; B. Time-Resolved XAS; 1. General Setup; 2. Interpretation of the Transient Signal; C. Sources of Ultrafast X-ray Pulses and Data Acquisition; 1. Picosecond XAS; 2. Femtosecond XAS: The Slicing Scheme; 3. Future Developments: X-FELs; III. Theoretical Approaches for XAFS; A. Structural Analysis: The EXAFS Region 327 $aB. The Quasiparticle Approximation: Modeling the Near Edge 1. Green's Functions and Multiple Scattering Theory; 2. Beyond Spherical Potentials; C. Many-Body Effects; 1. The Self-Energy Operator; 2. Time-Dependent Density Functional Theory; 3. Post-Hartree-Fock Methods; D. Beyond Picosecond Temporal Resolution; IV. Examples; A. Photoinduced Hydrophobicity; B. Spin-Crossover Molecular Systems; C. Solvent Effects; D. Intramolecular Charge Transfer; V. Outlook; Acknowledgments; References; Scaling Perspective on Intramolecular Vibrational Energy Flow: Analogies, Insights, and Challenges 327 $aI. Introduction: Motivation and Historical Overview II. IVR: Analogy to Anderson Localization; A. Introducing the IVR State Space; B. Quantum Ergodicity Threshold; 1. Ensemble of Hamiltonians: Probabilistic Approach to the Transition; III. Scaling Theory of IVR; A. State Space Predictions; IV. Important Questions; V. Classical-Quantum Correspondence and IVR; A. State Space-Phase Space Correspondence; B. Geometry of the Resonance Network: Arnold Web; C. Computing the Arnold Web; 1. Variational Approaches; 2. Time-Frequency Analysis; 3. "Coarse-Grained" Frequency Ratio Space 327 $a5. Kramers' Formula as a Special Case of Langer's Formula B. Kramers' Turnover Problem; 1. Green Function of the Energy-Action Diffusion Equation; 2. Integral Equation for the Distribution Function in Energy-Action Variables; 3. Kramers' VLD Result; 4. Criticisms of the Ad Hoc Approach of Mel'nikov and Meshkov; C. Applications of the Theory of Brownian Movement in a Potential and of the Kramers Theory; D. Escape Rate for a Fixed Axis Rotator in a Double-Well Potential; 1. Turnover Formula for the Escape Rate for Fixed Axis Rotation 327 $a2. Exact Matrix Continued Fraction Solution of the Langevin Equation 330 $aDetailed reviews of new and emerging topics in chemical physics presented by leading experts The Advances in Chemical Physics series is dedicated to reviewing new and emerging topics as well as the latest developments in traditional areas of study in the field of chemical physics. Each volume features detailed comprehensive analyses coupled with individual points of view that integrate the many disciplines of science that are needed for a full understanding of chemical physics. Volume 153 of Advances in Chemical Physics features six expertly written 410 0$aAdvances in chemical physics ;$vv. 153. 606 $aChemistry, Physical and theoretical 615 0$aChemistry, Physical and theoretical. 676 $a535.2 676 $a539 701 $aRice$b Stuart A$012863 701 $aDinner$b Aaron R$01622289 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910813113303321 996 $aAdvances in chemical physics$93956073 997 $aUNINA