Bulletin of the American Physical Society
APS March Meeting 2023
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session GG07: V: Theory and Computation in Chemical Physics
12:30 PM–1:42 PM,
Monday, March 20, 2023
Room: Virtual Room 7
Sponsoring
Unit:
DCP
Chair: Jingsong Zhang, University of California, Riverside
Abstract: GG07.00004 : The variational Gaussian approximation combined with high-order geometric integrators with applications to quantum tunneling and vibronic spectra*
1:06 PM–1:18 PM
Presenter:
Roya Moghaddasi Fereidani
(École polytechnique fédérale de Lausanne (EPFL))
Authors:
Roya Moghaddasi Fereidani
(École polytechnique fédérale de Lausanne (EPFL))
Jiri Vanicek
(Ecole Polytechnique Federale de Lausanne)
Reference
[1] E. Heller, The Journal of Chemical Physics, 64, 63-73 (1976)
[2] R. Coalson, M. Karplus, The Journal of Chemical Physics, 93, 3919-3930 (1990)
[3] E. Heller, The Journal of Chemical Physics, 62, 1544-1555 (1975)
[4] E. Faou, C. Lubich, Comput. Visual Sci., 9, 45-55 (2006)
*The authors acknowledge financial support from the Swiss National Science Foundation within the National Center of Competence in Research "Molecular Ultrafast Science and Technology" (MUST) and from the European Research Council (ERC).
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