04840cam a2200505Ii 4500 on1198236331 OCoLC 20210423014356.0 m o d cr cnu---unuuu 200930s2020 ne fo 000 0 eng d OPELS eng rda pn OPELS YDX UKMGB N$T EBLCP OCLCF UKAHL GBC031055 bnb 019726167 Uk 1197558655 0128172355 (electronic bk.) 9780128172353 (electronic bk.) 9780128172346 0128172347 (OCoLC)1198236331 (OCoLC)1197558655 QC454.M6 539.6/0287 23 Molecular spectroscopy and quantum dynamics / edited by Roberto Marquardt, Martin Quack. Amsterdam : Elsevier, 2020. 1 online resource (380 pages) text txt rdacontent computer c rdamedia online resource cr rdacarrier 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. Print version record. 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 Molecular spectroscopy. Quantum theory. Molecular spectroscopy. fast (OCoLC)fst01024838 Quantum theory. fast (OCoLC)fst01085128 Electronic books. Electronic books. Marquardt, Roberto, editor. Quack, Martin, editor. Print version: Molecular spectroscopy and quantum dynamics. Amsterdam : Elsevier, 2020 9780128172346 (OCoLC)1142202351 ScienceDirect https://www.sciencedirect.com/science/book/9780128172346