نتایج جستجو برای: density functional theory dmf

تعداد نتایج: 1660248  

Journal: :Lecture notes series, Institute For Mathematical Sciences, National University of Singapore 2023

We review some of the basic mathematical results about density functional theory.

Journal: :Physical review 2021

A formalism to describe steady-state electronic and thermal transport in the framework of density functional theory is presented. one-to-one correspondence proven between three basic variables theory, i.e., on as well electrical heat currents through junction, potentials, local potential DC bias gradient across junction. Consequently, Kohn-Sham system requires exchange-correlations potentials. ...

Journal: :Journal of Physics: Condensed Matter 2000

Journal: :The Journal of Chemical Physics 2016

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