Info
- Utilizzare la checkbox di selezione a fianco di ciascun documento per attivare le funzionalità di stampa, invio email, download nei formati disponibili del (i) record.
Advances in chemical physics [[electronic resource] ] . Volume 153 / / edited by Stuart A. Rice, Aaron R. Dinner
| Advances in chemical physics [[electronic resource] ] . Volume 153 / / edited by Stuart A. Rice, Aaron R. Dinner |
| Edizione | [2nd ed.] |
| Pubbl/distr/stampa | Hoboken, N.J., : Wiley, 2013 |
| Descrizione fisica | 1 online resource (599 p.) |
| Disciplina |
535.2
539 |
| Altri autori (Persone) |
RiceStuart A
DinnerAaron R |
| Collana | Advances in chemical physics |
| Soggetto topico | Chemistry, Physical and theoretical |
| ISBN |
1-118-57176-2
1-118-57175-4 1-299-40239-9 1-118-57180-0 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Advances 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
B. 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 I. 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 5. 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 2. Exact Matrix Continued Fraction Solution of the Langevin Equation |
| Record Nr. | UNINA-9910139033003321 |
| Hoboken, N.J., : Wiley, 2013 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Advances in chemical physics . Volume 148 [[electronic resource] /] / edited by Stuart A. Rice, Aaron R. Dinner
| Advances in chemical physics . Volume 148 [[electronic resource] /] / edited by Stuart A. Rice, Aaron R. Dinner |
| Pubbl/distr/stampa | Hoboken, N.J., : Wiley, 2012 |
| Descrizione fisica | 1 online resource (402 p.) |
| Disciplina | 541.3 |
| Altri autori (Persone) |
RiceStuart A
DinnerAaron R |
| Collana | Advances in chemical physics |
| Soggetto topico | Chemistry, Physical and theoretical |
| ISBN |
1-283-40111-8
9786613401113 1-118-15871-7 1-118-15868-7 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Advances in Chemical Physics; CONTENTS; Control of Quantum Phenomena; Crowded Charges in Ion Channels; Colloidal Crystallization Between Two and Three Dimensions; Statistical Mechanics of Liquids and Fluids in Curved Space; Author Index; Subject Index; Colour Plates |
| Record Nr. | UNINA-9910141197303321 |
| Hoboken, N.J., : Wiley, 2012 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Advances in chemical physics . Volume 41 [[electronic resource] /] / edited by Stuart A. Rice, Aaron R. Dinner
| Advances in chemical physics . Volume 41 [[electronic resource] /] / edited by Stuart A. Rice, Aaron R. Dinner |
| Pubbl/distr/stampa | Hoboken, : John Wiley & Sons, Inc., c2012 |
| Descrizione fisica | 1 online resource (450 p.) |
| Disciplina | 541.3 |
| Altri autori (Persone) |
RiceStuart A
DinnerAaron R |
| Collana | Advances in chemical physics |
| Soggetto topico |
Chemistry, Physical and theoretical
Chemistry |
| ISBN |
1-283-33748-7
9786613337481 1-118-13524-5 1-118-13523-7 1-118-13521-0 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Advances in Chemical Physics; CONTENTS; Hydrogen-Bond Topology and Proton Ordering in Ice and Water Clusters; Molecular Inner-Shell Spectroscopy. Arpis Technique and its Applications; Geometric Optimal Control of Simple Quantum Systems; Density Matrix Equation for a Bathed Small System and its Application to Molecular Magnets; A Fractional Langevin Equation Approach to Diffusion Magnetic Resonance Imaging; Author Index; Subject Index; Colour Plates |
| Record Nr. | UNINA-9910139745903321 |
| Hoboken, : John Wiley & Sons, Inc., c2012 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Advances in chemical physics . Volume 131 [[electronic resource] /] / edited by Stuart A. Rice
| Advances in chemical physics . Volume 131 [[electronic resource] /] / edited by Stuart A. Rice |
| Pubbl/distr/stampa | New York ; ; Chichester, : Wiley, 2005 |
| Descrizione fisica | 1 online resource (540 p.) |
| Disciplina |
541.3
541.305 541/.08 |
| Altri autori (Persone) | RiceStuart A |
| Collana | Advances in chemical physics |
| Soggetto topico |
Chemistry, Physical and theoretical
Chemistry |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-280-27726-2
9786610277261 0-471-73946-4 0-471-73945-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | ADVANCES IN CHEMICAL PHYSICS VOLUME 131; CONTRIBUTORS; INTRODUCTION; CONTENTS; POLYELECTROLYTE DYNAMICS; HYDRODYNAMICS AND SLIP AT THE LIQUID-SOLID INTERFACE; STRUCTURE OF IONIC LIQUIDS AND IONIC LIQUID COMPOUNDS: ARE IONIC LIQUIDS GENUINE LIQUIDS IN THE CONVENTIONAL SENSE?; CHEMICAL REACTIONS AT VERY HIGH PRESSURE; CLASSICAL DESCRIPTION OF NONADIABATIC QUANTUM DYNAMICS; NON-BORN-OPPENHEIMER VARIATIONAL CALCULATIONS OF ATOMS AND MOLECULES WITH EXPLICITLY CORRELATED GAUSSIAN BASIS FUNCTIONS; AUTHOR INDEX; SUBJECT INDEX |
| Record Nr. | UNINA-9910143575603321 |
| New York ; ; Chichester, : Wiley, 2005 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Advances in chemical physics . Volume 131 [[electronic resource] /] / edited by Stuart A. Rice
| Advances in chemical physics . Volume 131 [[electronic resource] /] / edited by Stuart A. Rice |
| Pubbl/distr/stampa | New York ; ; Chichester, : Wiley, 2005 |
| Descrizione fisica | 1 online resource (540 p.) |
| Disciplina |
541.3
541.305 541/.08 |
| Altri autori (Persone) | RiceStuart A |
| Collana | Advances in chemical physics |
| Soggetto topico |
Chemistry, Physical and theoretical
Chemistry |
| ISBN |
1-280-27726-2
9786610277261 0-471-73946-4 0-471-73945-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | ADVANCES IN CHEMICAL PHYSICS VOLUME 131; CONTRIBUTORS; INTRODUCTION; CONTENTS; POLYELECTROLYTE DYNAMICS; HYDRODYNAMICS AND SLIP AT THE LIQUID-SOLID INTERFACE; STRUCTURE OF IONIC LIQUIDS AND IONIC LIQUID COMPOUNDS: ARE IONIC LIQUIDS GENUINE LIQUIDS IN THE CONVENTIONAL SENSE?; CHEMICAL REACTIONS AT VERY HIGH PRESSURE; CLASSICAL DESCRIPTION OF NONADIABATIC QUANTUM DYNAMICS; NON-BORN-OPPENHEIMER VARIATIONAL CALCULATIONS OF ATOMS AND MOLECULES WITH EXPLICITLY CORRELATED GAUSSIAN BASIS FUNCTIONS; AUTHOR INDEX; SUBJECT INDEX |
| Record Nr. | UNISA-996212507403316 |
| New York ; ; Chichester, : Wiley, 2005 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
| ||
Advances in chemical physics . Volume 131 [[electronic resource] /] / edited by Stuart A. Rice
| Advances in chemical physics . Volume 131 [[electronic resource] /] / edited by Stuart A. Rice |
| Pubbl/distr/stampa | New York ; ; Chichester, : Wiley, 2005 |
| Descrizione fisica | 1 online resource (540 p.) |
| Disciplina |
541.3
541.305 541/.08 |
| Altri autori (Persone) | RiceStuart A |
| Collana | Advances in chemical physics |
| Soggetto topico |
Chemistry, Physical and theoretical
Chemistry |
| ISBN |
1-280-27726-2
9786610277261 0-471-73946-4 0-471-73945-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | ADVANCES IN CHEMICAL PHYSICS VOLUME 131; CONTRIBUTORS; INTRODUCTION; CONTENTS; POLYELECTROLYTE DYNAMICS; HYDRODYNAMICS AND SLIP AT THE LIQUID-SOLID INTERFACE; STRUCTURE OF IONIC LIQUIDS AND IONIC LIQUID COMPOUNDS: ARE IONIC LIQUIDS GENUINE LIQUIDS IN THE CONVENTIONAL SENSE?; CHEMICAL REACTIONS AT VERY HIGH PRESSURE; CLASSICAL DESCRIPTION OF NONADIABATIC QUANTUM DYNAMICS; NON-BORN-OPPENHEIMER VARIATIONAL CALCULATIONS OF ATOMS AND MOLECULES WITH EXPLICITLY CORRELATED GAUSSIAN BASIS FUNCTIONS; AUTHOR INDEX; SUBJECT INDEX |
| Record Nr. | UNINA-9910829829703321 |
| New York ; ; Chichester, : Wiley, 2005 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Advances in chemical physics . Volume 123 [[electronic resource] /] / edited by I. Prigogine and Stuart A. Rice
| Advances in chemical physics . Volume 123 [[electronic resource] /] / edited by I. Prigogine and Stuart A. Rice |
| Pubbl/distr/stampa | New York, : Chichester, : Wiley, 2002 |
| Descrizione fisica | 1 online resource (692 p.) |
| Disciplina |
541.3
541.305 541/.08 |
| Altri autori (Persone) |
PrigogineI (Ilya)
RiceStuart A |
| Collana | Advances in chemical physics |
| Soggetto topico |
Chemistry, Physical and theoretical
Chemistry |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-280-36689-3
9786610366897 0-470-34731-7 0-471-46149-0 0-471-23150-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | ADVANCES IN CHEMICAL PHYSICS VOLUME 123; CONTRIBUTORS TO VOLUME 123; INTRODUCTION; CONTENTS; TRANSITION PATH SAMPLING; CHEMICAL REACTION DYNAMICS: MANY-BODY CHAOS AND REGULARITY; DYNAMICS OF CHEMICAL REACTIONS AND CHAOS; A STOCHASTIC THEORY OF SINGLE MOLECULE SPECTROSCOPY; THE ROLE OF SELF-SIMILARITY IN RENORMALIZATION GROUP THEORY; ELECTRON-CORRELATED APPROACHES FOR THE CALCULATION OF NMR CHEMICAL SHIFTS; COMPUTATIONAL CHEMISTRY OF ACIDS; COOPERATIVE EFFECTS IN HYDROGEN BONDING; SOLVENT EFFECTS IN NONADIABATIC ELECTRON-TRANSFER REACTIONS: THEORETICAL ASPECTS; AUTHOR INDEX; SUBJECT INDEX |
| Record Nr. | UNINA-9910143226503321 |
| New York, : Chichester, : Wiley, 2002 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Advances in chemical physics . Volume 123 [[electronic resource] /] / edited by I. Prigogine and Stuart A. Rice
| Advances in chemical physics . Volume 123 [[electronic resource] /] / edited by I. Prigogine and Stuart A. Rice |
| Pubbl/distr/stampa | New York, : Chichester, : Wiley, 2002 |
| Descrizione fisica | 1 online resource (692 p.) |
| Disciplina |
541.3
541.305 541/.08 |
| Altri autori (Persone) |
PrigogineI (Ilya)
RiceStuart A |
| Collana | Advances in chemical physics |
| Soggetto topico |
Chemistry, Physical and theoretical
Chemistry |
| ISBN |
1-280-36689-3
9786610366897 0-470-34731-7 0-471-46149-0 0-471-23150-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | ADVANCES IN CHEMICAL PHYSICS VOLUME 123; CONTRIBUTORS TO VOLUME 123; INTRODUCTION; CONTENTS; TRANSITION PATH SAMPLING; CHEMICAL REACTION DYNAMICS: MANY-BODY CHAOS AND REGULARITY; DYNAMICS OF CHEMICAL REACTIONS AND CHAOS; A STOCHASTIC THEORY OF SINGLE MOLECULE SPECTROSCOPY; THE ROLE OF SELF-SIMILARITY IN RENORMALIZATION GROUP THEORY; ELECTRON-CORRELATED APPROACHES FOR THE CALCULATION OF NMR CHEMICAL SHIFTS; COMPUTATIONAL CHEMISTRY OF ACIDS; COOPERATIVE EFFECTS IN HYDROGEN BONDING; SOLVENT EFFECTS IN NONADIABATIC ELECTRON-TRANSFER REACTIONS: THEORETICAL ASPECTS; AUTHOR INDEX; SUBJECT INDEX |
| Record Nr. | UNINA-9910830565403321 |
| New York, : Chichester, : Wiley, 2002 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Advancing theory for kinetics and dynamics of complex, many-dimensional systems [[electronic resource] ] : clusters and proteins / / edited by Tamiki Komatsuzaki, R. Stephen Berry, David M. Leitner ; series editors, Stuart A. Rice, Aaron R. Dinner
| Advancing theory for kinetics and dynamics of complex, many-dimensional systems [[electronic resource] ] : clusters and proteins / / edited by Tamiki Komatsuzaki, R. Stephen Berry, David M. Leitner ; series editors, Stuart A. Rice, Aaron R. Dinner |
| Pubbl/distr/stampa | Hoboken, N.J., : Wiley, 2011 |
| Descrizione fisica | 1 online resource (266 p.) |
| Disciplina | 544.6 |
| Altri autori (Persone) |
KomatsuzakiTamiki
BerryR. Stephen <1931-2020.> LeitnerDavid M RiceStuart A DinnerAaron R |
| Collana | Advances in chemical physics |
| Soggetto topico |
Molecular dynamics
Microclusters Proteins |
| ISBN |
1-283-20392-8
9786613203922 1-118-08782-8 1-118-08781-X 1-118-08783-6 |
| Classificazione |
VE 2300
UA 1024 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | ADVANCING THEORY FOR KINETICS AND DYNAMICS OF COMPLEX, MANY-DIMENSIONAL SYSTEMS: CLUSTERS AND PROTEINS; Contents; Preface; Non-Markovian Theory of Vibrational Energy Relaxation andits Applications to Biomolecular Systems; Protein Functional Motions: Basic Concepts and Computational Methodologies; Non-Brownian Phase Space Dynamics of Molecules, the Nature of Their Vibrational States, and Non-RRKM Kinetics; Dynamical Reaction Theory Based on Geometric Structures in Phase Space; Ergodic Problems for Real Complex Systems in Chemical Physics; Author Index; Subject Index |
| Record Nr. | UNINA-9910139620803321 |
| Hoboken, N.J., : Wiley, 2011 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Quantum information and computation for chemistry . Volume 154 Advances in chemical physics / / edited by Sabre Kais, Stuart A. Rice, Aaron R. Dinner
| Quantum information and computation for chemistry . Volume 154 Advances in chemical physics / / edited by Sabre Kais, Stuart A. Rice, Aaron R. Dinner |
| Pubbl/distr/stampa | Hoboken, New Jersey : , : Wiley, , 2014 |
| Descrizione fisica | 1 online resource (673 p.) |
| Disciplina | 541.3 |
| Altri autori (Persone) |
KaisSabre
RiceStuart A DinnerAaron R |
| Collana | Advances in Chemical Physics |
| Soggetto topico | Chemistry, Physical and theoretical |
| ISBN |
1-118-74263-X
1-118-74260-5 1-118-74258-3 |
| Classificazione |
VE 2300
UA 1024 VC 6100 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Quantum Information and Computation for Chemistry; Contributors to Volume 154; Foreword; Preface to The Series; Contents; Introduction to Quantum Information and Computation for Chemistry; I. Introduction; A. Qubits and Gates; B. Circuits and Algorithms; C. Teleportation; II. Quantum Simulation; A. Introduction; B. Phase Estimation Algorithm; 1. General Formulation; 2. Implementation of Unitary Transformation U; 3. Group Leaders Optimization Algorithm; 4. Numerical Example; 5. Simulation of the Water Molecule; III. Algorithm for Solving Linear Systems Ax = b; A. General Formulation
B. Numerical Example IV. Adiabatic Quantum Computing; A. Hamiltonians of n-Particle Systems; B. The Model of Adiabatic Computation; C. Hamiltonian Gadgets; V. Topological Quantum Computing; A. Anyons; B. Non-Abelian Braid Groups; C. Topological Phase of Matter; D. Quantum Computation Using Anyons; VI. Entanglement; VII. Decoherence; VIII. Major Challenges and Opportunities; References; Back to The Future: A Roadmap for Quantum Simulation from Vintage Quantum Chemistry; I. Introduction; II. Quantum Computing; A. Phase Estimation; B. Time Evolution and the Cartan Decomposition III. Quantum Chemistry: The CI Method A. Second Quantization: Direct Mapping; B. FCI: Compact Mapping; IV. A Selection of Historical Calculations in Quantum Chemistry; A. The 1930's and 1940's; B. The 1950's; C. The 1960's; V. Boys's 1950 Calculation for Be; VI. Conclusions; References; Introduction to Quantum Algorithms for Physics and Chemistry; I. Introduction; A. Quantum Computational Complexity and Chemistry; 1. An Exponential Wall for Many-Body Problems; 2. Computational Complexity of Quantum Simulation; B. Basic Quantum Algorithms for Digital Quantum Simulation; 1. Quantum Fourier Transform 2. Phase Estimation Algorithm II. Digital Quantum Simulation; A. Overview; B. Simulation of Time Evolution; 1. Suzuki-Trotter Formulas; 2. First-Quantized Representation; 3. Second-Quantized Representation; 4. Open-System Dynamics; C. State Preparation; 1. Preparing Ground States; 2. Preparing Thermal States Using Quantum Metropolis; 3. Preparing Thermal States with Perturbative Updates; D. Algorithmic Quantum Cooling; 1. Basic Idea of the Quantum Cooling Method; 2. Connection with Heat-Bath Algorithmic Cooling; III. Special Topics; A. Adiabatic Nondestructive Measurements B. TDDFT and Quantum Simulation IV. Conclusion and Outlook; References; Quantum Computing Approach to Nonrelativistic and Relativistic Molecular Energy Calculations; I. Overview; II. Quantum Computing Background; A. Quantum Fourier Transform; B. Semiclassical Approach to Quantum Fourier Transform; C. Phase Estimation Algorithm; D. Iterative Phase Estimation Algorithm; III. Quantum Full Configuration Interaction Method; A. Mapping of Quantum Chemical Wave Functions onto Quantum Register; B. Initial States for the Algorithm; 1. Adiabatic State Preparation; C. Controlled "Time Propagation" 1. Decomposition of Unitary Propagator to Elementary Quantum Gates |
| Record Nr. | UNINA-9910140440903321 |
| Hoboken, New Jersey : , : Wiley, , 2014 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
