Femtosecond quantum structure, equilibration and time reversal for the CH-chromophore dynamics in CHD2F

Luckhaus, David; Quack, Martin; Stohner, Jürgen

doi:10.1016/0009-2614(93)87225-R

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.