نتایج جستجو برای: density functional theory dmf

تعداد نتایج: 1660248  

Journal: :Multiscale Modeling & Simulation 2015

Journal: :International Journal of Quantum Chemistry 2021

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

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