Towards time-dependent, non-equilibrium charge-transfer force fields
نویسندگان
چکیده
منابع مشابه
Charge transfer in time-dependent density functional theory.
Charge transfer plays a crucial role in many processes of interest in physics, chemistry, and bio-chemistry. In many applications the size of the systems involved calls for time-dependent density functional theory (TDDFT) to be used in their computational modeling, due to its unprecedented balance between accuracy and efficiency. However, although exact in principle, in practise approximations ...
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ژورنال
عنوان ژورنال: The European Physical Journal B
سال: 2013
ISSN: 1434-6028,1434-6036
DOI: 10.1140/epjb/e2013-40047-x