# Surface hopping

## Papers overview

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2018

2018

- Math. Comput.
- 2018

We develop a surface hopping algorithm based on frozen Gaussian approximation for semiclassical matrix SchrÃ¶dinger equations, inâ€¦Â (More)

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2016

2016

- 2016

Fewest-switches surface hopping is studied in the context of quantumâ€“classical Liouville dynamics. Both approaches are mixedâ€¦Â (More)

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2011

2011

- 2011

The aim of this text is to present a surface hopping approximation for molecular quantum dynamics obeying a SchrÃ¶dinger equationâ€¦Â (More)

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2008

2008

- SIAM J. Math. Analysis
- 2008

We construct a surface hopping semigroup, which asymptotically describes nuclear propagation through crossings of electron energyâ€¦Â (More)

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2008

2008

- 2008

Three approximate switching algorithms for trajectory surface hopping calculations are presented using simple models to describeâ€¦Â (More)

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2008

2008

- The Journal of chemical physics
- 2008

The single switch trajectory surface hopping algorithm is tested for numerical simulations of a two-state three-mode model forâ€¦Â (More)

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2007

2007

- 2007

A molecular dynamics driver and surface hopping algorithm for nonadiabatic dynamics has been implemented in a development versionâ€¦Â (More)

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2006

2006

- Journal of Chemical Information and Modeling
- 2006

Similarity-based methods for virtual screening are widely used. However, conventional searching using 2D chemical fingerprints orâ€¦Â (More)

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Highly Cited

2002

Highly Cited

2002

- ICRA
- 2002

A b s t r a c t m As many biomechanists indicate~ tendon plays important role for running or jumping motion. It stores theâ€¦Â (More)

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2000

2000

- 2000

An algorithm is presented for the exact solution of the evolution of the density matrix of a mixed quantum-classical system inâ€¦Â (More)

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