The selective population of the vibrational levels of thioformaldehyde

文献信息

发布日期 2001-01-23
DOI 10.1039/B008454I
影响因子 3.676
作者

Céline Léonard, Gilberte Chambaud, Pavel Rosmus, Nicholas C. Handy


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摘要

The simulation of the selective excitation of the vibrational levels of the electronic ground state of H2CS by femtosecond coherent light pulses was investigated. The simulation model was based on the development of the time-dependent wavefunction in terms of the stationary vibrational eigenstates. The dipole moment and the potential energy functions were obtained ab initio and approximated by polynomial expansions. Chirped and non-chirped linear polarized pulses were tried as well as circularly polarized pulses. If the target vibrational level was not involved in resonances a selectivity of more than 60% was achieved. In several cases the target state was 100% populated. Different ways of achieving the population were investigated.

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来源期刊

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
自引率: 10.3%
年发文量: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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