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Introducing PROFESS 3.0: an advanced program for orbital-free density functional theory molecular dynamics simulations 2016-09-13 Paper https://portal...

large-scale density functional theory calculations 2023-04-25 Paper Treecode-accelerated Green iteration for Kohn-Sham density functional theory 2022-04-11...

Kohn-Sham density functional theory 2016-12-05 Paper Higher-order adaptive finite-element methods for orbital-free density functional theory 2014-04-23...

Pseudospectral methods for density functional theory in bounded and unbounded domains 2017-12-13 Paper Dynamical density functional theory for orientable colloids...

quasi-one-dimensional materials using helical waves 2024-02-21 Paper Density functional theory method for twisted geometries with application to torsional deformations...

classical density functional theory calculations for molecular liquids 2023-03-31 Paper Erratum: Renormalized site density functional theory (2021 J. Stat...

fracture: theory and numerical simulations 2018-08-09 Paper Higher-order adaptive finite-element methods for Kohn-Sham density functional theory 2016-12-05...

special relativity theory. With CD-ROM. 2005-05-26 Paper Relativistic Density Functional Theory 2004-05-18 Paper Extension of Kohn–Sham theory to excited states...

formulation of orbital-free density functional theory 2016-12-05 Paper Coarse-graining Kohn-Sham density functional theory 2013-03-13 Paper A mesh-free...

fluctuating dynamic density functional theory 2024-03-28 Paper Memory effects in fluctuating dynamic density-functional theory: theory and simulations 2023-01-25...

dynamic density-functional theory: theory and simulations 2023-01-25 Paper A finite-volume method for fluctuating dynamical density functional theory 2022-04-21...

classical density functional theory calculations for molecular liquids 2023-03-31 Paper Erratum: Renormalized site density functional theory (2021 J. Stat...

classical density functional theory calculations for molecular liquids 2023-03-31 Paper Erratum: Renormalized site density functional theory (2021 J. Stat...

Publication Date of Publication Type Density functional theory for the selective adsorption of small molecules on a surface modified with polymer brushes...

implementation of density functional theory: isolated clusters 2017-12-19 Paper Higher-order finite-difference formulation of periodic orbital-free density functional...

Publication Type Some problems in density functional theory 2023-04-27 Paper Seven useful questions in density functional theory 2023-04-27 Paper...

Time-Dependent Current Density Functional Theory 2006-03-09 Paper A Novel Formulation of a Local-Scaling Density Functional Theory 2004-11-26 Paper...

formulation of orbital-free density functional theory 2009-06-02 Paper Quasi-continuum orbital-free density-functional theory: a route to multi-million atom...

Publication Date of Publication Type Real-space density functional theory and time dependent density functional theory using finite/infinite element methods 2013-06-14...

Publication Date of Publication Type Real-space density functional theory and time dependent density functional theory using finite/infinite element methods 2013-06-14...