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Any software that could do surface hopping?

Newton-X Newton-X is a general program for molecular dynamics simulations beyond the Born-Oppenheimer approximation. It has been primarily used for simulations of ultrafast processes (femtosecond to ...
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6 votes

Any software that could do surface hopping?

Here are some options. Depending on what you want you may use on-the-fly electronic structure calculations for energies, gradients, and couplings and some of the codes can take care of integrating the ...
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