Zobrazeno 1 - 10
of 20
pro vyhledávání: '"Pascal Krause"'
Publikováno v:
ChemPhysChem. 24
The present work focuses on probing ultrafast charge migration after symmetry-breaking excitation using ultrashort laser pulses. LiCN is chosen as prototypical system because it can be oriented in the laboratory frame and it possesses optically-acces
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7d39bdabba320d8afbc5556a18a79f08
https://doi.org/10.1002/cphc.202200463
https://doi.org/10.1002/cphc.202200463
Publikováno v:
Journal of Physical Chemistry A
Journal of Physical Chemistry A, American Chemical Society, 2021, 125 (22), pp.4793-4804. ⟨10.1021/acs.jpca.1c02501⟩
Journal of Physical Chemistry A, American Chemical Society, 2021, 125 (22), pp.4793-4804. ⟨10.1021/acs.jpca.1c02501⟩
The creation, transfer, and stabilization of localized excitations are studied in a donor-acceptor Frenkel exciton model in an atomistic treatment of reduced-size double quantum dots (QDs) of various sizes. The explicit time-dependent dynamics simula
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1a1260016de891614e1632c6a7040e53
https://doi.org/10.1021/acs.jpca.1c02501
https://doi.org/10.1021/acs.jpca.1c02501
Autor:
Tillmann Klamroth, Florian Bedurke, Peter Saalfrank, Mathias Nest, Chiara Heide, Jean Christophe Tremblay, Pascal Krause, Stefan Klinkusch
Publikováno v:
Advances in Quantum Chemistry
Advances in Quantum Chemistry, pp.15-50, 2020, ⟨10.1016/bs.aiq.2020.03.001⟩
Advances in Quantum Chemistry, pp.15-50, 2020, ⟨10.1016/bs.aiq.2020.03.001⟩
Modern laser technology and ultrafast spectroscopies have pushed the timescales for detecting and manipulating dynamical processes in molecules from the picosecond over femtosecond domains, to the attosecond regime (1 as = 10−18 s). This way, real-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ece269da513a421e8b368ced605d4cf5
https://doi.org/10.1016/bs.aiq.2020.03.001
https://doi.org/10.1016/bs.aiq.2020.03.001
Publikováno v:
The Journal of Chemical Physics. 150:234114
High Harmonic Generation (HHG) is a nonlinear optical process that provides a tunable source for high-energy photons and ultrashort laser pulses. Recent experiments demonstrated that HHG spectroscopy may also be used as an analytical tool to discrimi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3b754fe8d155675ec1a1da2597983f2d
https://doi.org/10.1063/1.5096473
https://doi.org/10.1063/1.5096473
Autor:
Pascal Krause, Spiridoula Matsika
Publikováno v:
Annual Review of Physical Chemistry. 62:621-643
Nonadiabatic events, in which the Born-Oppenheimer approximation breaks down, are ubiquitous in chemistry and biology. It is now widely accepted that they are facilitated by conical intersections (CIs), actual degeneracies between electronic states.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ad2f6610fe226230da5c7359af2360c2
https://doi.org/10.1146/annurev-physchem-032210-103450
https://doi.org/10.1146/annurev-physchem-032210-103450
Autor:
Pascal Krause, H. Bernhard Schlegel
Publikováno v:
The journal of physical chemistry. A. 119(40)
The angle dependence of strong-field ionization was studied for a set of second period hydrides (BH(3), CH(4), NH(3), H(2)O, and HF) and third period hydrides (AlH(3), SiH(4), PH(3), H(2)S, and HCl). Time-dependent configuration interaction with a co
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a330cc3806a538a2ac0c462e32def6a5
https://pubmed.ncbi.nlm.nih.gov/26349847
https://pubmed.ncbi.nlm.nih.gov/26349847
Autor:
Pascal Krause, H. Bernhard Schlegel
Publikováno v:
The journal of physical chemistry letters. 6(11)
The angle-dependence of strong field ionization of O2, N2, CO2, and CH2O has been studied theoretically using a time-dependent configuration interaction approach with a complex absorbing potential (TDCIS-CAP). Calculation of the ionization yields as
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2916acf4acfa47c101fa9c4497fb8683
https://pubmed.ncbi.nlm.nih.gov/26266516
https://pubmed.ncbi.nlm.nih.gov/26266516
Publikováno v:
Israel Journal of Chemistry. 45:205-215
In this paper we present time-dependent, quantum-dynamical simulations of photoinduced processes at solid surfaces involving nonadiabatic transitions of electrons to and from short-lived intermediate excited states. In particular, two-photon photoemi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::739faa3cfce6d18913caf376ba7cb929
https://doi.org/10.1560/nm0d-wwp5-vphu-qmtp
https://doi.org/10.1560/nm0d-wwp5-vphu-qmtp
Autor:
C. van Wüllen, Jörn Manz, C.A. Chatzidimitriou-Dreismann, H. Naumann, Pascal Krause, D. Ambrosek
Publikováno v:
Chemical Physics. 302:229-241
For the first time, time-dependent nuclear wavepacket theory is applied to the experimental context of neutron Compton scattering (NCS). The derivation is analogous to the well-known expression of infrared laser absorption spectra (IR-LAS) in terms o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1d194221d87dcc7ce172c5db2c21dfbc
https://doi.org/10.1016/j.chemphys.2004.03.019
https://doi.org/10.1016/j.chemphys.2004.03.019
Publikováno v:
Phys. Chem. Chem. Phys.. 5:4806-4813
Selective bond breaking may be achieved in two steps. First, an intense ultrashort, i.e. few-cycle infrared (IR) laser pulse creates momentum along the bond to be broken. Another ultrashort few-cycle ultraviolet (UV) laser pulse then induces a Franck
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7a586d1adedb8e49d1800d50c6e51cee
https://doi.org/10.1039/b305305a
https://doi.org/10.1039/b305305a