نتایج جستجو برای: functional theory

تعداد نتایج: 1318115  

Journal: :Reviews of Modern Physics 1975

Journal: :The Journal of Physical Chemistry B 2014

Journal: :Journal of Physics: Conference Series 2012

Journal: :Annual Review of Physical Chemistry 2021

Kohn-Sham density functional theory with the available exchange–correlation functionals is less accurate for strongly correlated systems, which require a multiconfigurational description as zero-order function, than weakly and of spin densities do not accurately predict energies many systems when one uses wave functions symmetry. Furthermore, adding correlation to reference energy can lead doub...

Journal: :Science of Computer Programming 1990

Journal: :Journal of Mathematical Analysis and Applications 1968

Journal: :Annual Review of Linguistics 2016

Journal: :The Journal of Chemical Physics 2012

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