Tuning and Tracking of Coherent Shear Waves in Molecular Films

Autor: Dmitry Khakhulin, Niels Harrit, S. O. Mariager, Nerijus Rusteika, Thomas Nørskov Nielsen, Marco Cammarata, Thomas Scheby Kuhlman, Shin-ya Koshihara, Robert Feidenhans'l, Henrik T. Lemke, Peter Hammershøj, Shin-ichi Adachi, Dag W. Breiby, Michael Wulff, Tine Ejdrup, Martin Nielsen, Theis I. Sølling

Publikováno v: ACS Omega
ACS Omega, ACS Publications, 2018, 3 (8), pp.9929-9933. ⟨10.1021/acsomega.8b01400⟩
ACS Omega, Vol 3, Iss 8, Pp 9929-9933 (2018)
Lemke, H T, Breiby, D W, Ejdrup, T, Hammershøj, P, Cammarata, M, Khakhulin, D, Rusteika, N, Adachi, S-I, Koshihara, S, Kuhlman, T S, Mariager, S O, Nielsen, T N, Wulff, M, Sølling, T I, Harrit, N, Feidenhans’l, R & Nielsen, M M 2018, ' Tuning and Tracking of Coherent Shear Waves in Molecular Films ', ACS Omega, vol. 3, no. 8, pp. 9929-9933 . https://doi.org/10.1021/acsomega.8b01400
'ACS Omega ', vol: 3, pages: 9929-9933 (2018)
Lemke, H T, Breiby, D W, Ejdrup, T, Hammershøj, P, Cammarata, M, Khakhulin, D, Rusteika, N, Adachi, S-I, Koshihara, S, Kuhlman, T S, Mariager, S O, Nielsen, T N, Wulff, M, Sølling, T I, Harrit, N, Feidenhans'l, R & Nielsen, M M 2018, ' Tuning and Tracking of Coherent Shear Waves in Molecular Films ', ACS Omega, vol. 3, no. 8, pp. 9929-9933 . https://doi.org/10.1021/acsomega.8b01400

in films as response to femtosecond and picosecond laser pulse heating by timeresolved X-ray diffraction. This method allows a direct absolute determination of the molecular displacements induced by electron−phonon interactions, which are crucial

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4443f217f0498b203271296b3a76a537
http://hdl.handle.net/11250/2611800

Coherent Motion Reveals Non-Ergodic Nature of Internal Conversion between Excited States

Autor: Theis I. Sølling, Thomas Scheby Kuhlman, Klaus Braagaard Møller

Publikováno v: ChemPhysChem. 13:820-827

We found that specific nuclear motion along low-frequency modes is effective in coupling electronic states and that this motion prevail in some small molecules. Thus, in direct contradiction to what is expected based on the standard models, the inter

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::68a3a07d6243d696a2cf5dbac85e114e
https://doi.org/10.1002/cphc.201100929

Hexamethylcyclopentadiene : time-resolved photoelectron spectroscopy and ab initio multiple spawning simulations

Autor: Andreas-Neil Unterreiner, Thomas J. A. Wolf, Oliver Schalk, Klaus Braagaard Møller, Thomas Scheby Kuhlman, Todd J. Martínez, Albert Stolow

Publikováno v: Wolf, T J A, Kuhlman, T S, Schalk, O, Martínez, T J, Møller, K B, Stolow, A & Unterreiner, A-N 2014, ' Hexamethylcyclopentadiene: time-resolved photoelectron spectroscopy and ab initio multiple spawning simulations ', Physical Chemistry Chemical Physics, vol. 16, pp. 11770-11779 . https://doi.org/10.1039/c4cp00977k

Progress in our understanding of ultrafast light-induced processes in molecules is best achieved through a close combination of experimental and theoretical approaches. Direct comparison is obtained if theory is able to directly reproduce experimenta

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3c49d697fe34d7852e0f8905687650cb
https://doi.org/10.1039/c4cp00977k

Quantum-dynamical Modeling of the Rydberg to Valence Excited-State Internal Conversion in Cyclobutanone and Cyclopentanone

Autor: Theis I. Sølling, Klaus Braagaard Møller, Thomas Scheby Kuhlman, Stephan P. A. Sauer

Publikováno v: EPJ Web of Conferences, Vol 41, p 02033 (2013)

In this paper we present 4-state, 5-dimensional Vibronic Coupling Hamiltonians for cyclobutanone and cyclopentanone. Wave packet calculations using these Hamiltonians reveal that for cyclobutanone the (n,3s) to (n,π*) internal conversion involves di

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c8caa644018be6dad1a652f1e4e848cd
https://doaj.org/article/19a900a475554a0eb13f2291cbb8c588

Time-Resolved Photoelectron Spectra

Autor: Thomas Scheby Kuhlman

Publikováno v: Springer Theses ISBN: 9783319003856

Through the time evolution of the wavefunction, dynamics simulations provide insight into the system under investigation. Often, it can be beneficial to consider partially integrated quantities such as electronic populations or coordinate expectation

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f0ce575ab41e342138930b427f7e66f4
https://doi.org/10.1007/978-3-319-00386-3_5