Kinetic energy density for orbital-free density functional calculations by axiomatic approach

Petascale Orbital-Free Density Functional Theory Enabled by Small-Box Algorithms

(2016) Mohan Chen et al.   Journal of Chemical Theory and Computation

DFT: A Theory Full of Holes?

(2015) Aurora Pribram-Jones et al.   Annual Review of Physical Chemistry

Understanding machine-learned density functionals

(2015) Li Li et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Correction to kinetic energy density functional using exactly solvable model

(2015) Alexey Sergeev et al.   PHYSICA SCRIPTA

Density functional theory: Its origins, rise to prominence, and future

(2015) R. O. Jones   REVIEWS OF MODERN PHYSICS

Perspective: Fifty years of density-functional theory in chemical physics

(2014) Axel D. Becke   JOURNAL OF CHEMICAL PHYSICS

Density functional theory: Foundations reviewed

(2014) Eugene S. Kryachko et al.   PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS

Orbital-free bond breaking via machine learning

(2013) John C. Snyder et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum criticality analysis by finite-size scaling and exponential basis sets

(2013) Fahhad H. Alharbi et al.   PHYSICAL REVIEW E

Angular-Momentum-Dependent Orbital-Free Density Functional Theory

(2013) Youqi Ke et al.   PHYSICAL REVIEW LETTERS

Exact relations between the electron density and external potential for systems of interacting and noninteracting electrons

(2012) Ilya G. Ryabinkin et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Finding Density Functionals with Machine Learning

(2012) John C. Snyder et al.   PHYSICAL REVIEW LETTERS

Challenges for Density Functional Theory

(2011) Aron J. Cohen et al.   CHEMICAL REVIEWS

Electronic Structure via Potential Functional Approximations

(2011) Attila Cangi et al.   PHYSICAL REVIEW LETTERS

Geometry optimization

(2011) H. Bernhard Schlegel   Wiley Interdisciplinary Reviews-Computational Molecular Science

How Ambiguous Is the Local Kinetic Energy?†

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

Nonlocal orbital-free kinetic energy density functional for semiconductors

(2010) Chen Huang et al.   PHYSICAL REVIEW B

Meshfree eigenstate calculation of arbitrary quantum well structures

(2010) Fahhad Alharbi   PHYSICS LETTERS A

Numerical Methods for Electronic Structure Calculations of Materials

(2010) Yousef Saad et al.   SIAM REVIEW

Semiclassical Origins of Density Functionals

(2008) Peter Elliott et al.   PHYSICAL REVIEW LETTERS