Upper bound to the gradient-based kinetic energy density of noninteracting electrons in an external potential

Performance of Semilocal Kinetic Energy Functionals for Orbital-Free Density Functional Theory

(2019) Lucian A. Constantin et al.   Journal of Chemical Theory and Computation

Efficient Treatment of Local Meta-generalized Gradient Density Functionals via Auxiliary Density Expansion: The Density Fitting J + X Approximation

(2018) Alyssa V. Bienvenu et al.   Journal of Chemical Theory and Computation

Orbital-free density functional theory for materials research

(2018) William C. Witt et al.   JOURNAL OF MATERIALS RESEARCH

Semilocal Pauli-Gaussian Kinetic Functionals for Orbital-Free Density Functional Theory Calculations of Solids

(2018) Lucian A. Constantin et al.   Journal of Physical Chemistry Letters

Orbital-free approximations to the kinetic-energy density in exchange-correlation MGGA functionals: Tests on solids

(2018) Fabien Tran et al.   JOURNAL OF CHEMICAL PHYSICS

Laplacian-dependent models of the kinetic energy density: Applications in subsystem density functional theory with meta-generalized gradient approximation functionals

(2017) Szymon Śmiga et al.   JOURNAL OF CHEMICAL PHYSICS

Recent developments in the ABINIT software package

(2016) X. Gonze et al.   COMPUTER PHYSICS COMMUNICATIONS

Subsystem density functional theory with meta-generalized gradient approximation exchange-correlation functionals

(2015) Szymon Śmiga et al.   JOURNAL OF CHEMICAL PHYSICS

Kohn-Sham kinetic energy density in the nuclear and asymptotic regions: Deviations from the von Weizsäcker behavior and applications to density functionals

(2015) Fabio Della Sala et al.   PHYSICAL REVIEW B

Reply to “Comment on ‘Single-point kinetic energy density functionals: A pointwise kinetic energy density analysis and numerical convergence investigation’ ”

(2015) Junchao Xia et al.   PHYSICAL REVIEW B

Comment on “Single-point kinetic energy density functionals: A pointwise kinetic energy density analysis and numerical convergence investigation”

(2015) S. B. Trickey et al.   PHYSICAL REVIEW B

Single-point kinetic energy density functionals: A pointwise kinetic energy density analysis and numerical convergence investigation

(2015) Junchao Xia et al.   PHYSICAL REVIEW B

Orbital-free density functional theory study of crystalline Li–Si alloys

(2014) Junchao Xia et al.   JOURNAL OF POWER SOURCES

Quantum oscillations in the kinetic energy density: Gradient corrections from the Airy gas

(2014) A. Lindmaa et al.   PHYSICAL REVIEW B

Nonempirical generalized gradient approximation free-energy functional for orbital-free simulations

(2013) Valentin V. Karasiev et al.   PHYSICAL REVIEW B

How Ambiguous Is the Local Kinetic Energy?†

(2010) James S. M. Anderson et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Kinetic energy density functionals from the Airy gas with an application to the atomization kinetic energies of molecules

(2009) Lucian A. Constantin et al.   PHYSICAL REVIEW B