Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Luckhaus, David | - |
dc.contributor.author | Quack, Martin | - |
dc.contributor.author | Stohner, Jürgen | - |
dc.date.accessioned | 2018-03-29T09:13:07Z | - |
dc.date.available | 2018-03-29T09:13:07Z | - |
dc.date.issued | 1993 | - |
dc.identifier.issn | 0009-2614 | de_CH |
dc.identifier.issn | 1873-4448 | de_CH |
dc.identifier.uri | https://digitalcollection.zhaw.ch/handle/11475/4514 | - |
dc.description.abstract | We present a new numerical scheme to compute femtosecond quantum molecular dynamics involving several strongly coupled degrees of freedom. This method is based on a combination of contracted grid basis eigenstate calculations with time-dependent propagation under coherent infrared multiphoton excitation with transformation to the quasi-resonant basis. Using data from our previous high-resolution spectroscopic investigation of CHD2F, we present quantum wavepacket results for the CH-chromophore dynamics, including coherent time evolution of CH stretching excitation in terms of explicit probability densities for the corresponding normal coordinate, relaxation towards approximate, partial quasi-equilibrium on the 100 fs time scale and a discussion of symmetry under time reversal in the ps time range. | de_CH |
dc.language.iso | en | de_CH |
dc.publisher | Elsevier | de_CH |
dc.relation.ispartof | Chemical Physics Letters | de_CH |
dc.rights | Licence according to publishing contract | de_CH |
dc.subject.ddc | 540: Chemie | de_CH |
dc.title | Femtosecond quantum structure, equilibration and time reversal for the CH-chromophore dynamics in CHD2F | de_CH |
dc.type | Beitrag in wissenschaftlicher Zeitschrift | de_CH |
dcterms.type | Text | de_CH |
zhaw.departement | Life Sciences und Facility Management | de_CH |
dc.identifier.doi | 10.1016/0009-2614(93)87225-R | de_CH |
zhaw.funding.eu | No | de_CH |
zhaw.issue | 5 | de_CH |
zhaw.originated.zhaw | Yes | de_CH |
zhaw.pages.end | 443 | de_CH |
zhaw.pages.start | 434 | de_CH |
zhaw.publication.status | publishedVersion | de_CH |
zhaw.volume | 212 | de_CH |
zhaw.publication.review | Peer review (Publikation) | de_CH |
Appears in collections: | Publikationen Life Sciences und Facility Management |
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Luckhaus, D., Quack, M., & Stohner, J. (1993). Femtosecond quantum structure, equilibration and time reversal for the CH-chromophore dynamics in CHD2F. Chemical Physics Letters, 212(5), 434–443. https://doi.org/10.1016/0009-2614(93)87225-R
Luckhaus, D., Quack, M. and Stohner, J. (1993) ‘Femtosecond quantum structure, equilibration and time reversal for the CH-chromophore dynamics in CHD2F’, Chemical Physics Letters, 212(5), pp. 434–443. Available at: https://doi.org/10.1016/0009-2614(93)87225-R.
D. Luckhaus, M. Quack, and J. Stohner, “Femtosecond quantum structure, equilibration and time reversal for the CH-chromophore dynamics in CHD2F,” Chemical Physics Letters, vol. 212, no. 5, pp. 434–443, 1993, doi: 10.1016/0009-2614(93)87225-R.
LUCKHAUS, David, Martin QUACK und Jürgen STOHNER, 1993. Femtosecond quantum structure, equilibration and time reversal for the CH-chromophore dynamics in CHD2F. Chemical Physics Letters. 1993. Bd. 212, Nr. 5, S. 434–443. DOI 10.1016/0009-2614(93)87225-R
Luckhaus, David, Martin Quack, and Jürgen Stohner. 1993. “Femtosecond Quantum Structure, Equilibration and Time Reversal for the CH-Chromophore Dynamics in CHD2F.” Chemical Physics Letters 212 (5): 434–43. https://doi.org/10.1016/0009-2614(93)87225-R.
Luckhaus, David, et al. “Femtosecond Quantum Structure, Equilibration and Time Reversal for the CH-Chromophore Dynamics in CHD2F.” Chemical Physics Letters, vol. 212, no. 5, 1993, pp. 434–43, https://doi.org/10.1016/0009-2614(93)87225-R.
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