نتایج جستجو برای: tetrazolo 15 b124triazine density functional theory
تعداد نتایج: 2095037 فیلتر نتایج به سال:
Journal:
:The Journal of Chemical Physics
2013
Journal:
:ENERGY & ENVIRONMENTAL MATERIALS
2019
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
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