Critical appraisal of the fewest switches algorithm for surface hopping.

By Giovanni Granucci, Maurizio Persico. Journal of Chemical Physics, 2007

634 citations recorded by the source corpus.

Subfields: Artificial Intelligence, Atomic and Molecular Physics, and Optics, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/4969ab13e78ba01b623adf41b87e6ab8bbc9813c

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Artificial Intelligence

1. Felix Plasser

In Atomic and Molecular Physics, and Optics

1. Maurizio Persico
2. Giovanni Granucci
3. Felix Plasser
4. Hans Lischka
5. Jirí Pittner
6. Matthias Ruckenbauer
7. Mario Barbatti

In Spectroscopy

1. Maurizio Persico
2. Giovanni Granucci
3. Felix Plasser
4. Hans Lischka
5. Jirí Pittner
6. Matthias Ruckenbauer

Citations in the corpus

• Newton‐X: a surface‐hopping program for nonadiabatic molecular dynamics (2014, background): “18,19 Every time step, the transition probabilities between the current state k and any other state j are evaluated according to the fewest-switches prescription 7 P k → j = max 0 , − 2 (cid:4) t Then, a stochastic algorithm is invoked to decide in which state the dynamics will proceed.”