Autore	Gotze Wolfgang <1937->
Pubbl/distr/stampa	Oxford ; ; New York, : Oxford University Press, 2009
Descrizione fisica	xi, 641 p. : ill
Collana	International series of monographs on physics
Soggetto topico	Viscosity Mode-coupling theory Equations of motion Complex fluids Molecular dynamics
ISBN	0191553042 9780191553042
Formato	Materiale a stampa
Livello bibliografico	Monografia
Lingua di pubblicazione	eng
Record Nr.	UNINA-9910795862703321

Autore	Gotze Wolfgang <1937->
Edizione	[1st ed.]
Pubbl/distr/stampa	Oxford ; ; New York, : Oxford University Press, 2009
Descrizione fisica	xi, 641 p. : ill
Disciplina	532/.0533
Collana	International series of monographs on physics
Soggetto topico	Viscosity Mode-coupling theory Equations of motion Complex fluids Molecular dynamics
ISBN	0191553042 9780191553042
Formato	Materiale a stampa
Livello bibliografico	Monografia
Lingua di pubblicazione	eng
Nota di contenuto	Intro -- Contents -- Preface -- 1 Glassy dynamics of liquids-facets of the phenomenon -- 1.1 Stretching of the dynamics -- 1.2 Power-law relaxation -- 1.3 Superposition principles -- 1.4 Two-step relaxation through a plateau -- 1.5 The cage effect -- 1.6 Crossover phenomena -- 1.7 Hard-sphere systems: the paradigms -- 1.8 Hard-sphere systems with short-range attraction -- 2 Correlation functions -- 2.1 The evolution of dynamical variables -- 2.2 Correlation-function description of the dynamics -- 2.3 Spectral representations -- 2.4 Memory-kernel descriptions of correlators -- 2.4.1 Zwanzig-Mori equations -- 2.4.2 Models for correlation functions -- 2.5 Linear-response theory -- 2.6 The arrested parts of correlation functions -- 3 Elements of liquid dynamics -- 3.1 Preliminaries -- 3.1.1 Homogeneous isotropic systems without chirality -- 3.1.2 Densities and density fluctuations -- 3.2 Tagged-particle dynamics -- 3.2.1 Basic concepts and general equations -- 3.2.2 Tagged-particle diffusion -- 3.2.3 The friction coefficient -- 3.2.4 The cage effect and glassy-dynamics precursors of the velocity correlations -- 3.3 Densities and currents in simple liquids -- 3.3.1 Definitions and general equations -- 3.3.2 Transverse-current diffusion -- 3.3.3 The generalized-hydrodynamics description of transverse-current correlations -- 3.3.4 Visco-elastic features and glassy-dynamics precursors of the transverse-current correlators -- 3.3.5 Representations of the density correlators in terms of relaxation kernels -- 3.3.6 Sound waves and heat diffusion -- 3.3.7 Visco-elastic features and glassy-dynamics precursors of the density-fluctuation correlators -- 4 Foundations of the mode-coupling theory for the evolution of glassy dynamics in liquids -- 4.1 Self-consistent-current-relaxation approaches -- 4.1.1 The factorization ansatz. 4.1.2 Self-consistency equations for density correlators -- 4.2 A mode-coupling theory -- 4.2.1 Equations of motion and fixed-point equations -- 4.2.2 Mode-coupling-theory models -- 4.2.3 The basic version of microscopic mode-coupling theories -- 4.2.4 An elementary mode-coupling-theory model -- 4.3 Glass-transition singularities -- 4.3.1 Regular and critical states -- 4.3.2 Examples for bifurcation diagrams -- 4.3.3 Classification of the critical states -- 4.3.4 Correlation arrest near A[sub(2)] singularities -- 4.3.5 Density-fluctuation arrest in hard-sphere-like systems -- 4.3.6 Arrest in systems with short-ranged-attraction -- 4.4 Dynamics near glass-transition singularities -- 4.4.1 Relaxation through plateaus -- 4.4.2 Below-plateau relaxation -- 4.4.3 Structure and structure relaxation -- 4.4.4 Descriptions of some glassy-dynamics data -- 5 Extensions of the mode-coupling theory for the evolution of glassy dynamics of liquids -- 5.1 Extensions of the MCT for simple systems -- 5.1.1 MCT equations for the glassy shear dynamics -- 5.1.2 Glassy-relaxation features of shear correlations -- 5.1.3 MCT equations for the tagged-particle dynamics -- 5.1.4 Idealized transitions from diffusion to localization -- 5.1.5 Glassy-dynamics features of tagged-particle motions -- 5.2 A mode-coupling theory for mixtures of spherical particles -- 5.2.1 The equations of motion -- 5.2.2 Density-fluctuation arrest -- 5.2.3 Hard-sphere mixtures -- 5.2.4 Sodium-disilicate melts -- 5.3 A mode-coupling theory for molecular liquids -- 5.3.1 A theory for interaction-site-density correlators -- 5.3.2 Systems of symmetric dumbbells -- 5.3.3 Glassy Rouse dynamics -- 5.4 Some addenda -- 6 Asymptotic relaxation laws -- 6.1 Dynamics of the first-scaling-law regime -- 6.1.1 Reformulation of the MCT equations of motion -- 6.1.2 The critical dynamics. 6.1.3 Asymptotic description of the A[sub(2)]-bifurcation dynamics -- 6.1.4 The scaling-limit description of the generic liquid-glass-transition dynamics -- 6.1.5 Extended scaling-limit description of the generic A[sub(2)]-bifurcation dynamics -- 6.2 Dynamics of the second-scaling-law regime -- 6.2.1 Equations of motion for the second-scaling-law regime -- 6.2.2 The second-scaling-law description of the liquid dynamics -- 6.2.3 Asymptotic corrections for the second scaling limit -- 6.3 Relaxation near higher-order singularities -- 6.3.1 Correlation arrest near higher-order singularities -- 6.3.2 Logarithmic relaxation -- A: Mathematical miscellanies -- A.1 Laplace transforms -- A.2 Fourier transforms -- A.3 Positive-definite and positive-analytic functions -- A.4 Harmonic-oscillator correlators -- A.5 Matrix correlators -- A.6 Product correlators -- A.7 Power-law variations -- A.8 Logarithmic variations -- B: Symmetries of fluctuation correlators -- C: Smoothened correlators -- D: Theorems on MCT equations -- D.1 Convergence of the approximant sequences -- D.2 Completely monotonic approximants -- D.3 The maximum-eigenvalue inequality -- D.4 Further properties of stability matrices -- Bibliography -- Index -- A -- B -- C -- D -- E -- F -- G -- H -- I -- K -- L -- M -- N -- O -- P -- Q -- R -- S -- T -- U -- V -- W -- Y -- Z.
Record Nr.	UNINA-9910812635803321

Autore	Götze Wolfgang <1937->
Pubbl/distr/stampa	Oxford ; ; New York, : Oxford University Press, 2009
Descrizione fisica	1 online resource (654 p.)
Disciplina	532.5 532/.0533
Collana	International series of monographs on physics
Soggetto topico	Viscosity Mode-coupling theory Equations of motion Complex fluids Molecular dynamics
Soggetto genere / forma	Electronic books.
ISBN	0-19-965614-2 9786611975722 1-281-97572-9 0-19-155304-2
Formato	Materiale a stampa
Livello bibliografico	Monografia
Lingua di pubblicazione	eng
Nota di contenuto	Contents; Preface; 1 Glassy dynamics of liquids-facets of the phenomenon; 1.1 Stretching of the dynamics; 1.2 Power-law relaxation; 1.3 Superposition principles; 1.4 Two-step relaxation through a plateau; 1.5 The cage effect; 1.6 Crossover phenomena; 1.7 Hard-sphere systems: the paradigms; 1.8 Hard-sphere systems with short-range attraction; 2 Correlation functions; 2.1 The evolution of dynamical variables; 2.2 Correlation-function description of the dynamics; 2.3 Spectral representations; 2.4 Memory-kernel descriptions of correlators; 2.4.1 Zwanzig-Mori equations 2.4.2 Models for correlation functions2.5 Linear-response theory; 2.6 The arrested parts of correlation functions; 3 Elements of liquid dynamics; 3.1 Preliminaries; 3.1.1 Homogeneous isotropic systems without chirality; 3.1.2 Densities and density fluctuations; 3.2 Tagged-particle dynamics; 3.2.1 Basic concepts and general equations; 3.2.2 Tagged-particle diffusion; 3.2.3 The friction coefficient; 3.2.4 The cage effect and glassy-dynamics precursors of the velocity correlations; 3.3 Densities and currents in simple liquids; 3.3.1 Definitions and general equations 3.3.2 Transverse-current diffusion3.3.3 The generalized-hydrodynamics description of transverse-current correlations; 3.3.4 Visco-elastic features and glassy-dynamics precursors of the transverse-current correlators; 3.3.5 Representations of the density correlators in terms of relaxation kernels; 3.3.6 Sound waves and heat diffusion; 3.3.7 Visco-elastic features and glassy-dynamics precursors of the density-fluctuation correlators; 4 Foundations of the mode-coupling theory for the evolution of glassy dynamics in liquids; 4.1 Self-consistent-current-relaxation approaches 4.1.1 The factorization ansatz4.1.2 Self-consistency equations for density correlators; 4.2 A mode-coupling theory; 4.2.1 Equations of motion and fixed-point equations; 4.2.2 Mode-coupling-theory models; 4.2.3 The basic version of microscopic mode-coupling theories; 4.2.4 An elementary mode-coupling-theory model; 4.3 Glass-transition singularities; 4.3.1 Regular and critical states; 4.3.2 Examples for bifurcation diagrams; 4.3.3 Classification of the critical states; 4.3.4 Correlation arrest near A[sub(2)] singularities; 4.3.5 Density-fluctuation arrest in hard-sphere-like systems 4.3.6 Arrest in systems with short-ranged-attraction4.4 Dynamics near glass-transition singularities; 4.4.1 Relaxation through plateaus; 4.4.2 Below-plateau relaxation; 4.4.3 Structure and structure relaxation; 4.4.4 Descriptions of some glassy-dynamics data; 5 Extensions of the mode-coupling theory for the evolution of glassy dynamics of liquids; 5.1 Extensions of the MCT for simple systems; 5.1.1 MCT equations for the glassy shear dynamics; 5.1.2 Glassy-relaxation features of shear correlations; 5.1.3 MCT equations for the tagged-particle dynamics 5.1.4 Idealized transitions from diffusion to localization
Record Nr.	UNINA-9910465116403321

Edizione	[15th ed.]
Pubbl/distr/stampa	River Edge, N. J. ; ; London, : World Scientific, 2004
Descrizione fisica	1 online resource (857 p.)
Disciplina	541.33
Altri autori (Persone)	DomckeWolfgang YarkonyDavid KöppelHorst
Collana	Advanced series in physical chemistry
Soggetto topico	Spectrum analysis Laser spectroscopy Molecular dynamics
Soggetto genere / forma	Electronic books.
ISBN	1-281-87701-8 9786611877019 981-256-546-9
Formato	Materiale a stampa
Livello bibliografico	Monografia
Lingua di pubblicazione	eng
Nota di contenuto	Introduction; Preface; Historical Introduction J. Michl; CONTENTS; 1. Born-Oppenheimer Approximation and Beyond L.S. Cederbaum; 2. Conical Intersections: Their Description and Consequences D.R. Yarkony; 3. Determination of Potential Energy Surface Intersections and Derivative Couplings in the Adiabatic Representation D.R. Yarkony; 4. Diabatic Representation: Methods for the Construction of Diabatic Electronic States H. Koppel; 5. Modeling and Interpolation of Global Multi-Sheeted Potential Energy Surfaces A.J.C. Varandas 6. Conical Intersections and Organic Reaction Mechanisms A. Migani and M. Olivucci7. The Multi-Mode Vibronic-Coupling Approach H. Koppel, W. Domcke and L.S. Cederbaum; 8. Model Studies of the Dynamics at Conical Intersections A. Lami and G. Villani; 9. Generic Aspects of the Dynamics at Conical Intersections: Internal Conversion, Vibrational Relaxation and Photoisomerization W. Domcke; 10. Jahn-Teller and Pseudo-Jahn-Teller Intersections: Spectroscopy and Vibronic Dynamics H. Koppel 11. Quantum Mechanical Studies of Photodissociation Dynamics Using Accurate Global Potential Energy Surfaces R. Schinke12. Geometric Phase Effects in Chemical Reaction Dynamics B.K. Kendrick; 13. Quantum Reaction Dynamics on Coupled Multi-Sheeted Potential Energy Surfaces S. Mahapatra; 14. Multidimensional Dynamics Involving a Conical Intersection: Wavepacket Calculations Using the MCTDH Method G.A. Worth, H.-D. Meyer and L.S. Cederbaum; 15. Mixed Quantum-Classical Description of the Dynamics at Conical Intersections G. Stock and M. Thoss 16. Absorption, Emission, and Photoelectron Continuous-Wave Spectra A. Lami, C. Petrongolo and F. Santoro17. Femtosecond Time-Resolved Spectroscopy of the Dynamics at Conical Intersections G. Stock and W. Domcke; 18. Nonadiabatic Quantum Dynamics and Control Strategies R. de Vivie-Riedle and A. Hofmann; Index
Record Nr.	UNINA-9910449877203321

Autore	Lefebvre R
Pubbl/distr/stampa	New York, : Interscience Publishers, 1969
Descrizione fisica	1 online resource (558 p.)
Disciplina	539 541.305 541/.08
Altri autori (Persone)	MoserC
Collana	Advances in chemical physics
Soggetto topico	Nuclear physics Molecular dynamics
Soggetto genere / forma	Electronic books.
ISBN	1-282-34738-1 9786612347382 0-470-14359-2 0-470-14399-1
Formato	Materiale a stampa
Livello bibliografico	Monografia
Lingua di pubblicazione	eng
Nota di contenuto	Correlation and Effects in Atoms Molecules; CONTENTS; Atomic Bethe-Goldstone Equations; On the Use of the Cluster Expansion and the Technique of Diagrams in Calculations of Correlation Effects in Atoms and Molecules; Effective Operators for Configurations of Equivalent Electrons; Applications of Many-Body Diagram Techniques in Atomic Physics; On the Hartree-Fock Method in Multi-Configuration Approximation; On the Application of the Extended Method of Calculation to the Atomic Electrons; The Correlation Energy of a Non-Uniform Electron Gas; Electron Correlation in Atoms and Molecules Some Aspects on the Correlation Problem and Possible Extensions of the Independent-Particle ModelCorrelation Effects in Diatomic Molecules Obtained from Configuration Interaction Using Hartree-Fock Orbital. Effects on Energy and Monoelectronic Operators; A Linked Diagram Treatment of Configuration Interaction in OpenShell Atoms; The Field-Theoretic Form of the Perturbation Theory for Many Electron Atoms. I. Abstract Theory; The Field-Theoretic Form of the Perturbation Theory for Many Electron Atoms. II. Atomic Systems; Author Index; Subject Index; Cumulative Index to Volumes I-XIV
Record Nr.	UNINA-9910144266403321