Related references
Note: Only part of the references are listed.CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations
Thomas D. Kuehne et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
The first order atomic fragment approach-An orbital-free implementation of density functional theory
K. Finzel
JOURNAL OF CHEMICAL PHYSICS (2019)
Can exact conditions improve machine-learned density functionals?
Jacob Hollingsworth et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
Local conditions for the Pauli potential in order to yield self-consistent electron densities exhibiting proper atomic shell structure
Kati Finzel
JOURNAL OF CHEMICAL PHYSICS (2016)
Petascale Orbital-Free Density Functional Theory Enabled by Small-Box Algorithms
Mohan Chen et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Kinetic Energy of Hydrocarbons as a Function of Electron Density and Convolutional Neural Networks
Kun Yao et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Pure density functional for strong correlation and the thermodynamic limit from machine learning
Li Li et al.
PHYSICAL REVIEW B (2016)
Kohn-Sham kinetic energy density in the nuclear and asymptotic regions: Deviations from the von Weizsacker behavior and applications to density functionals
Fabio Della Sala et al.
PHYSICAL REVIEW B (2015)
Enhanced von Weizsacker Wang-Govind-Carter kinetic energy density functional for semiconductors
Ilgyou Shin et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Daubechies wavelets for linear scaling density functional theory
Stephan Mohr et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Efficient and accurate solver of the three-dimensional screened and unscreened Poisson's equation with generic boundary conditions
Alessandro Cerioni et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Can orbital-free density functional theory simulate molecules?
Junchao Xia et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Density-decomposed orbital-free density functional theory for covalently bonded molecules and materials
Junchao Xia et al.
PHYSICAL REVIEW B (2012)
Functional derivative of the kinetic energy functional for spherically symmetric systems
A. Nagy
JOURNAL OF CHEMICAL PHYSICS (2011)
Nonlocal orbital-free kinetic energy density functional for semiconductors
Chen Huang et al.
PHYSICAL REVIEW B (2010)
Nearsightedness of electronic matter
E Prodan et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)
Modified statistical treatment of kinetic energy in the Thomas-Fermi model
JD Chai et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Kinetic energy functionals from the Kohn-Sham potential
RA King et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2000)