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- Martin J Falk, Brian R. Landry, Joseph E. Subotnik
- The journal of physical chemistry. B
- 2014

We compare the dynamics of Fewest Switches Surface Hopping (FSSH) in different parameter regimes of the spin-boson model. We show that for exceptional regions of the spin-boson parameter space, FSSHâ€¦ (More)

- Brian R. Landry, Martin J Falk, Joseph E. Subotnik
- The Journal of chemical physics
- 2013

In a recent paper, we presented a road map for how Tully's fewest switches surface hopping (FSSH) algorithm can be derived, under certain circumstances, from the mixed quantum-classical Liouvilleâ€¦ (More)

- Brian R. Landry, Joseph E. Subotnik
- The Journal of chemical physics
- 2011

We evaluate the accuracy of Tully's surface hopping algorithm for the spin-boson model for the case of a small diabatic coupling parameter (V). We calculate the transition rates between diabaticâ€¦ (More)

- Brian M. Gaff, Gregory J. Ploussios, Brian R. Landry
- Computing Handbook, 3rd ed.
- 2014

- Joseph E. Subotnik, Wenjun Ouyang, Brian R. Landry
- The Journal of chemical physics
- 2013

In this article, we demonstrate that Tully's fewest-switches surface hopping (FSSH) algorithm approximately obeys the mixed quantum-classical Liouville equation (QCLE), provided that severalâ€¦ (More)

- Brian R. Landry, Adam L Wasserman, Eric J Heller
- Physical review letters
- 2009

A new semiclassical method is proposed to obtain accurate ground-state energies for many-electron systems. The method borrows its semiclassical character from Thomas-Fermi (TF) theory, but improvesâ€¦ (More)

- Brian R. Landry, Joseph E. Subotnik
- The Journal of chemical physics
- 2012

We present a slightly improved version of our augmented fewest switches surface hopping (A-FSSH) algorithm and apply it to the calculation of transition rates between diabatic electronic statesâ€¦ (More)

- Joseph E. Subotnik, Ethan C Alguire, Qi Ou, Brian R. Landry, Shervin Fatehi
- Accounts of chemical research
- 2015

Electronically photoexcited dynamics are complicated because there are so many different relaxation pathways: fluorescence, phosphorescence, radiationless decay, electon transfer, etc. In practice,â€¦ (More)

- Brian R. Landry, Joseph E. Subotnik
- Journal of chemical theory and computation
- 2014

We simulate the dynamics of triplet-triplet energy transfer in a donor-bridge-acceptor system [4-(2-naphthylmethyl)benzaldehyde] with surface hopping, using electronic energies, gradients, andâ€¦ (More)

- Brian R. Landry, Joseph E. Subotnik
- The Journal of chemical physics
- 2015

We evaluate the accuracy of Tully's surface hopping algorithm for the spin-boson model in the limit of small to moderate reorganization energy. We calculate transition rates between diabatic surfacesâ€¦ (More)

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