نتایج جستجو برای: density functional theory
تعداد نتایج: 1657734 فیلتر نتایج به سال:
Journal:
:Letters in Mathematical Physics
2022
Abstract Recently, it has been proved that a set of spherically symmetric densities uniquely determines the Coulomb external potential. Utilizing this theorem, previous method is extended to construct an orbital-free density functional theory. Auxilary spherical non-interacting systems and Kohn–Sham-like equations are constructed. A generating functions defined. These have two extra variables r...
Journal:
:Journal of Chemical Education
2005
Journal:
:The Journal of Physical Chemistry Letters
2013
Journal:
:International Journal of Quantum Chemistry
2011
Journal:
:International Journal of Theoretical Physics
2009
Journal:
:Physical Chemistry Chemical Physics
2014
Journal:
:The Journal of Physical Chemistry A
2007
Journal:
:Journal of Physics: Condensed Matter
2003
Journal:
:Wiley Interdisciplinary Reviews: Computational Molecular Science
2013
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