Time Dependent Intramolecular Quantum Dynamics from High Resolution Spectroscopy and Laser Chemistry

Qüack, Martin

doi:10.1007/978-1-4899-2326-4_22

Cited by 5 publications

(1 citation statement)

References 69 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In this handbook, the articles by Carrington (2011): Using Iterative Methods to Compute Vibrational Spectra and Tennyson (2011): High Accuracy Rotation-Vibration Calculations on Small Molecules, this handbook deal with this topic. Additional, older reviews were given by Handy (1989), Bačić and Light (1989), and Tennyson et al (1992), including a time-dependent perspective by Quack (1992). There has also been recent progress in terms of "black box" programs for calculations along those lines in the group of Attila Császár (Mátyus et al 2009).…”

Section: Calculation Of Rovibrational Statesmentioning

confidence: 99%

Global Analytical Potential Energy Surfaces for High‐resolution Molecular Spectroscopy and Reaction Dynamics

Marquardt¹,

Qüack²

2011

Handbook of High‐resolution Spectroscopy

Self Cite

View full text Add to dashboard Cite

Analytical representations of potential energy hypersurfaces for the nuclear motion in polyatomic molecules from ab initio theory and experiment are discussed in a general way. The qualification of potential hypersurface representations from ab initio theory regarding the description of experimental data from rovibrational high-resolution spectroscopy and chemical reaction kinetics is analyzed in more detail for a restricted group of molecules including methane, CH 4 , ammonia, NH 3 , H 2 O 2 , and (HF) 2 . Current methods for the derivation of analytical representations of potential energy surfaces as well as some applications are reviewed.

show abstract

Section: Calculation Of Rovibrational Statesmentioning

confidence: 99%

Global Analytical Potential Energy Surfaces for High‐resolution Molecular Spectroscopy and Reaction Dynamics

Marquardt¹,

Qüack²

2011

Handbook of High‐resolution Spectroscopy

Self Cite

View full text Add to dashboard Cite

show abstract

Molecular Femtosecond Quantum Dynamics Between Less than Yoctoseconds and More than Days: Experiment and Theory

Qüack¹

1994

Femtosecond Chemistry

View full text Add to dashboard Cite

Theoretical Methods for Ultrafast Spectroscopy

Marquardt

2013

ChemPhysChem

View full text Add to dashboard Cite

Time-resolved spectroscopy in the femtosecond and attosecond time domain is a tool to unravel the dynamics of nuclear and electronic motion in molecular systems. Theoretical insight into the underlying physical processes is ideally gained by solving the time-dependent Schrödinger equation. In this work, methods currently used to solve this equation are reviewed in a compact presentation. These methods involve numerical representations of wavefunctions and operators, the calculation of time evolution operators, the setting up of the Hamiltonian operators and the types of coordinates to be used hereto. The advantages and disadvantages of some methods are discussed.

show abstract

Time Dependent Intramolecular Quantum Dynamics from High Resolution Spectroscopy and Laser Chemistry

Cited by 5 publications

References 69 publications

Global Analytical Potential Energy Surfaces for High‐resolution Molecular Spectroscopy and Reaction Dynamics

Global Analytical Potential Energy Surfaces for High‐resolution Molecular Spectroscopy and Reaction Dynamics

Molecular Femtosecond Quantum Dynamics Between Less than Yoctoseconds and More than Days: Experiment and Theory

Theoretical Methods for Ultrafast Spectroscopy

Contact Info

Product

Resources

About