Multidimensional potential of boron-containing molecules in functional materials
نویسندگان
چکیده
منابع مشابه
Potential-functional embedding theory for molecules and materials.
We introduce a potential-functional embedding theory by reformulating a recently proposed density-based embedding theory in terms of functionals of the embedding potential. This potential-functional based theory completes the dual problem in the context of embedding theory for which density-functional embedding theory has existed for two decades. With this potential-functional formalism, it is ...
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ژورنال
عنوان ژورنال: Journal of Chemical Sciences
سال: 2010
ISSN: 0974-3626,0973-7103
DOI: 10.1007/s12039-010-0008-9