Molecular spectroscopy and quantum dynamics / edited by Roberto Marquardt, Martin Quack.

Call Number
539.6/0287
Title
Molecular spectroscopy and quantum dynamics / edited by Roberto Marquardt, Martin Quack.
Physical Description
1 online resource (380 pages)
Contents
Front Cover -- Molecular Spectroscopy and Quantum Dynamics -- Copyright -- Contents -- List of Contributors -- Preface -- 1 Foundations of Time Dependent Quantum Dynamics of Molecules Under Isolation and in Coherent Electromagnetic Fields -- 1.1 Introduction -- 1.2 Foundations of Molecular Quantum Dynamics Between High Energy Physics, Chemistry and Molecular Biology -- 1.2.1 The Standard Model of Particle Physics (SMPP) as a Theory of Microscopic Matter Including the Low Energy Range of Atomic and Molecular Quantum Dynamics -- 1.2.2 Classical Mechanics and Quantum Mechanics
1.2.3 Time Evolution Operator Formulation of Quantum Dynamics -- 1.2.4 Further Approaches to Quantum Mechanics and Molecular Dynamics -- 1.2.5 Time-Dependent Quantum Statistical Dynamics -- 1.3 Methods for Solving the Time-Dependent Schr�odinger Equation -- 1.3.1 Spectral Decomposition Method -- 1.3.2 Linearization -- 1.3.3 The ""Chebychev"" Method -- 1.3.4 ""Short-Iterative"" Lanczos Method -- 1.3.5 ""Split-Operator"" Technique -- 1.3.6 The ""Multicon gurational Time-Dependent Hartree"" Method -- 1.3.7 Speci c Methods for the Electronic Motion -- 1.4 Hamiltonians -- 1.5 Coordinates
1.6 Quantum Dynamics Under Excitation With Coherent Monochromatic Radiation -- 1.6.1 Introductory Remarks -- 1.6.2 General Aspects of Atomic and Molecular Systems in Electromagnetic Field -- 1.6.3 Time-Dependent Quantum Dynamics in an Oscillatory Electromagnetic Field -- 1.6.4 Floquet Solution for Hamiltonians With Strict Periodicity -- 1.6.5 Weak-Field Quasiresonant Approximation (WF-QRA) for Coherent Monochromatic Excitation -- 1.6.6 Coherent Monochromatic Excitation Between Two Quantum States -- 1.7 Concluding Remarks
1.7.1 Time-Dependent Quantum Motion, Spectroscopy and Atomic and Molecular Clocks -- 1.7.2 Hierarchy of Interactions and Hierarchy of Timescales for the Successive Breaking of Approximate Dynamical Symmetries in Intramolecular Primary Processes -- Acknowledgments -- References -- 2 Exact Numerical Methods for Stationary-State-Based Quantum Dynamics of Complex Polyatomic Molecules -- 2.1 Introduction -- 2.2 Molecular Hamiltonians -- 2.2.1 Coordinate Systems -- 2.2.2 Formulation of the Classical Hamiltonian in Generalized Internal Coordinates
2.2.3 Formulation of the Quantum-Mechanical Hamiltonian in Generalized Internal Coordinates -- 2.2.4 Body-Fixed Frame Embeddings -- 2.2.5 Potential Energy Hypersurfaces -- 2.2.6 Basis Sets and Representations -- 2.2.7 Determination of Eigenstates -- 2.3 Computation of Bound Rovibrational States -- 2.3.1 On the Variational Solution -- 2.3.2 Symmetry in Nuclear-Motion Computations -- 2.3.3 Nuclear Spin Statistics -- 2.3.4 Wavefunction Analysis Tools Via Projection Techniques -- 2.4 Computation of Rovibrational Resonances -- 2.4.1 The Stabilization Method
Summary
Molecular Spectroscopy and Quantum Dynamics, an exciting new work edited by Professors Martin Quack and Roberto Marquardt, contains comprehensive information on the current state-of-the-art experimental and theoretical methods and techniques used to unravel ultra-fast phenomena in atoms, molecules and condensed matter, along with future perspectives on the field.
Added Author
Marquardt, Roberto, editor.
Quack, Martin, editor.
Subject
MOLECULAR SPECTROSCOPY.
QUANTUM THEORY.
Quantum Theory
Spectroscopie mol�eculaire.
Th�eorie quantique.
Molecular spectroscopy.
Quantum theory.
Electronic books.
Electronic books.
Multimedia
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$a Front Cover -- Molecular Spectroscopy and Quantum Dynamics -- Copyright -- Contents -- List of Contributors -- Preface -- 1 Foundations of Time Dependent Quantum Dynamics of Molecules Under Isolation and in Coherent Electromagnetic Fields -- 1.1 Introduction -- 1.2 Foundations of Molecular Quantum Dynamics Between High Energy Physics, Chemistry and Molecular Biology -- 1.2.1 The Standard Model of Particle Physics (SMPP) as a Theory of Microscopic Matter Including the Low Energy Range of Atomic and Molecular Quantum Dynamics -- 1.2.2 Classical Mechanics and Quantum Mechanics
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$a 1.2.3 Time Evolution Operator Formulation of Quantum Dynamics -- 1.2.4 Further Approaches to Quantum Mechanics and Molecular Dynamics -- 1.2.5 Time-Dependent Quantum Statistical Dynamics -- 1.3 Methods for Solving the Time-Dependent Schr�odinger Equation -- 1.3.1 Spectral Decomposition Method -- 1.3.2 Linearization -- 1.3.3 The ""Chebychev"" Method -- 1.3.4 ""Short-Iterative"" Lanczos Method -- 1.3.5 ""Split-Operator"" Technique -- 1.3.6 The ""Multicon gurational Time-Dependent Hartree"" Method -- 1.3.7 Speci c Methods for the Electronic Motion -- 1.4 Hamiltonians -- 1.5 Coordinates
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$a 1.6 Quantum Dynamics Under Excitation With Coherent Monochromatic Radiation -- 1.6.1 Introductory Remarks -- 1.6.2 General Aspects of Atomic and Molecular Systems in Electromagnetic Field -- 1.6.3 Time-Dependent Quantum Dynamics in an Oscillatory Electromagnetic Field -- 1.6.4 Floquet Solution for Hamiltonians With Strict Periodicity -- 1.6.5 Weak-Field Quasiresonant Approximation (WF-QRA) for Coherent Monochromatic Excitation -- 1.6.6 Coherent Monochromatic Excitation Between Two Quantum States -- 1.7 Concluding Remarks
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$a 1.7.1 Time-Dependent Quantum Motion, Spectroscopy and Atomic and Molecular Clocks -- 1.7.2 Hierarchy of Interactions and Hierarchy of Timescales for the Successive Breaking of Approximate Dynamical Symmetries in Intramolecular Primary Processes -- Acknowledgments -- References -- 2 Exact Numerical Methods for Stationary-State-Based Quantum Dynamics of Complex Polyatomic Molecules -- 2.1 Introduction -- 2.2 Molecular Hamiltonians -- 2.2.1 Coordinate Systems -- 2.2.2 Formulation of the Classical Hamiltonian in Generalized Internal Coordinates
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$a 2.2.3 Formulation of the Quantum-Mechanical Hamiltonian in Generalized Internal Coordinates -- 2.2.4 Body-Fixed Frame Embeddings -- 2.2.5 Potential Energy Hypersurfaces -- 2.2.6 Basis Sets and Representations -- 2.2.7 Determination of Eigenstates -- 2.3 Computation of Bound Rovibrational States -- 2.3.1 On the Variational Solution -- 2.3.2 Symmetry in Nuclear-Motion Computations -- 2.3.3 Nuclear Spin Statistics -- 2.3.4 Wavefunction Analysis Tools Via Projection Techniques -- 2.4 Computation of Rovibrational Resonances -- 2.4.1 The Stabilization Method
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$a Molecular Spectroscopy and Quantum Dynamics, an exciting new work edited by Professors Martin Quack and Roberto Marquardt, contains comprehensive information on the current state-of-the-art experimental and theoretical methods and techniques used to unravel ultra-fast phenomena in atoms, molecules and condensed matter, along with future perspectives on the field.
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Summary
Molecular Spectroscopy and Quantum Dynamics, an exciting new work edited by Professors Martin Quack and Roberto Marquardt, contains comprehensive information on the current state-of-the-art experimental and theoretical methods and techniques used to unravel ultra-fast phenomena in atoms, molecules and condensed matter, along with future perspectives on the field.
Contents
Front Cover -- Molecular Spectroscopy and Quantum Dynamics -- Copyright -- Contents -- List of Contributors -- Preface -- 1 Foundations of Time Dependent Quantum Dynamics of Molecules Under Isolation and in Coherent Electromagnetic Fields -- 1.1 Introduction -- 1.2 Foundations of Molecular Quantum Dynamics Between High Energy Physics, Chemistry and Molecular Biology -- 1.2.1 The Standard Model of Particle Physics (SMPP) as a Theory of Microscopic Matter Including the Low Energy Range of Atomic and Molecular Quantum Dynamics -- 1.2.2 Classical Mechanics and Quantum Mechanics
1.2.3 Time Evolution Operator Formulation of Quantum Dynamics -- 1.2.4 Further Approaches to Quantum Mechanics and Molecular Dynamics -- 1.2.5 Time-Dependent Quantum Statistical Dynamics -- 1.3 Methods for Solving the Time-Dependent Schr�odinger Equation -- 1.3.1 Spectral Decomposition Method -- 1.3.2 Linearization -- 1.3.3 The ""Chebychev"" Method -- 1.3.4 ""Short-Iterative"" Lanczos Method -- 1.3.5 ""Split-Operator"" Technique -- 1.3.6 The ""Multicon gurational Time-Dependent Hartree"" Method -- 1.3.7 Speci c Methods for the Electronic Motion -- 1.4 Hamiltonians -- 1.5 Coordinates
1.6 Quantum Dynamics Under Excitation With Coherent Monochromatic Radiation -- 1.6.1 Introductory Remarks -- 1.6.2 General Aspects of Atomic and Molecular Systems in Electromagnetic Field -- 1.6.3 Time-Dependent Quantum Dynamics in an Oscillatory Electromagnetic Field -- 1.6.4 Floquet Solution for Hamiltonians With Strict Periodicity -- 1.6.5 Weak-Field Quasiresonant Approximation (WF-QRA) for Coherent Monochromatic Excitation -- 1.6.6 Coherent Monochromatic Excitation Between Two Quantum States -- 1.7 Concluding Remarks
1.7.1 Time-Dependent Quantum Motion, Spectroscopy and Atomic and Molecular Clocks -- 1.7.2 Hierarchy of Interactions and Hierarchy of Timescales for the Successive Breaking of Approximate Dynamical Symmetries in Intramolecular Primary Processes -- Acknowledgments -- References -- 2 Exact Numerical Methods for Stationary-State-Based Quantum Dynamics of Complex Polyatomic Molecules -- 2.1 Introduction -- 2.2 Molecular Hamiltonians -- 2.2.1 Coordinate Systems -- 2.2.2 Formulation of the Classical Hamiltonian in Generalized Internal Coordinates
2.2.3 Formulation of the Quantum-Mechanical Hamiltonian in Generalized Internal Coordinates -- 2.2.4 Body-Fixed Frame Embeddings -- 2.2.5 Potential Energy Hypersurfaces -- 2.2.6 Basis Sets and Representations -- 2.2.7 Determination of Eigenstates -- 2.3 Computation of Bound Rovibrational States -- 2.3.1 On the Variational Solution -- 2.3.2 Symmetry in Nuclear-Motion Computations -- 2.3.3 Nuclear Spin Statistics -- 2.3.4 Wavefunction Analysis Tools Via Projection Techniques -- 2.4 Computation of Rovibrational Resonances -- 2.4.1 The Stabilization Method
Subject
MOLECULAR SPECTROSCOPY.
QUANTUM THEORY.
Quantum Theory
Spectroscopie mol�eculaire.
Th�eorie quantique.
Molecular spectroscopy.
Quantum theory.
Electronic books.
Electronic books.
Multimedia