نتایج جستجو برای: density functional theory dmf

تعداد نتایج: 1660248  

Journal: :Journal of Physics: Condensed Matter 2003

Journal: :Wiley Interdisciplinary Reviews: Computational Molecular Science 2013

Journal: :Letters in Mathematical Physics 2023

Though calculations based on density functional theory (DFT) are used remarkably widely in chemistry, physics, materials science, and biomolecular research though the modern form of DFT has been studied for almost 60 years, some mathematical problems remain. For context, we provide an outline basic structure DFT, then pose several questions regarding both its time-independent time-dependent for...

Journal: :Journal of Chemical Sciences 2005

Journal: :The Journal of Chemical Physics 2014

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