On-the-fly ab initio molecular dynamics with...

On-the-fly ab initio molecular dynamics with multiconfigurational Ehrenfest method

Saita, Kenichiro, Shalashilin, Dmitrii V.
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Volume:
137
Year:
2012
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.4734313
File:
PDF, 901 KB
english, 2012
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