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Trajectory based non-markovian dissipative tunneling.
Koch W, Grossmann F, Tannor DJ. Koch W, et al. Among authors: grossmann f. Phys Rev Lett. 2010 Dec 3;105(23):230405. doi: 10.1103/PhysRevLett.105.230405. Epub 2010 Dec 3. Phys Rev Lett. 2010. PMID: 21231434
Non-Markovian dissipative semiclassical dynamics.
Koch W, Grossmann F, Stockburger JT, Ankerhold J. Koch W, et al. Among authors: grossmann f. Phys Rev Lett. 2008 Jun 13;100(23):230402. doi: 10.1103/PhysRevLett.100.230402. Epub 2008 Jun 12. Phys Rev Lett. 2008. PMID: 18643474
Application of the mixed time-averaging semiclassical initial value representation method to complex molecular spectra.
Buchholz M, Grossmann F, Ceotto M. Buchholz M, et al. Among authors: grossmann f. J Chem Phys. 2017 Oct 28;147(16):164110. doi: 10.1063/1.4998510. J Chem Phys. 2017. PMID: 29096490 Free article.
The recently introduced mixed time-averaging semiclassical initial value representation of the molecular dynamics method for spectroscopic calculations [M. Buchholz, F. Grossmann, and M. Ceotto, J. Chem. Phys. 144, 094102 (2016)] is applied to systems with up to 61 …
The recently introduced mixed time-averaging semiclassical initial value representation of the molecular dynamics method for spectroscopic c …
85 results