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Molecular spectroscopy and quantum dynamics /

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 a...

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Other Authors: Marquardt, Roberto, (Editor), Quack, Martin, (Editor)
Language:English
Published: Amsterdam : Elsevier, 2020.
Subjects:
Molecular spectroscopy.
Quantum theory.
Electronic books.
Online Access:ScienceDirect
Table of 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 Schrödinger 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

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