Development of the Divide-and-Conquer Time-Dependent Density Functional Tight-Binding Method for Photoreceptor Protein
نویسندگان
چکیده
منابع مشابه
Nonadiabatic dynamics within time-dependent density functional tight binding method.
A nonadiabatic molecular dynamics is implemented in the framework of the time-dependent density functional tight binding method (TDDFTB) combined with Tully's stochastic surface hopping algorithm. The applicability of our method to complex molecular systems is illustrated on the example of the ultrafast excited state dynamics of microsolvated adenine. Our results demonstrate that in the presenc...
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ژورنال
عنوان ژورنال: Journal of Computer Chemistry, Japan
سال: 2018
ISSN: 1347-1767,1347-3824
DOI: 10.2477/jccj.2018-0032