Related references
Note: Only part of the references are listed.Understanding machine-learned density functionals
Li Li et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2016)
Petascale Orbital-Free Density Functional Theory Enabled by Small-Box Algorithms
Mohan Chen et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
DFT: A Theory Full of Holes?
Aurora Pribram-Jones et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 66 (2015)
Correction to kinetic energy density functional using exactly solvable model
Alexey Sergeev et al.
PHYSICA SCRIPTA (2015)
Density functional theory: Its origins, rise to prominence, and future
R. O. Jones
REVIEWS OF MODERN PHYSICS (2015)
Perspective: Fifty years of density-functional theory in chemical physics
Axel D. Becke
JOURNAL OF CHEMICAL PHYSICS (2014)
Density functional theory: Foundations reviewed
Eugene S. Kryachko et al.
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS (2014)
Exact relations between the electron density and external potential for systems of interacting and noninteracting electrons
Ilya G. Ryabinkin et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2013)
Orbital-free bond breaking via machine learning
John C. Snyder et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Quantum criticality analysis by finite-size scaling and exponential basis sets
Fahhad H. Alharbi et al.
PHYSICAL REVIEW E (2013)
Angular-Momentum-Dependent Orbital-Free Density Functional Theory
Youqi Ke et al.
PHYSICAL REVIEW LETTERS (2013)
Challenges for Density Functional Theory
Aron J. Cohen et al.
CHEMICAL REVIEWS (2012)
Finding Density Functionals with Machine Learning
John C. Snyder et al.
PHYSICAL REVIEW LETTERS (2012)
Electronic Structure via Potential Functional Approximations
Attila Cangi et al.
PHYSICAL REVIEW LETTERS (2011)
Geometry optimization
H. Bernhard Schlegel
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)
How Ambiguous Is the Local Kinetic Energy?
James S. M. Anderson et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
Nonlocal orbital-free kinetic energy density functional for semiconductors
Chen Huang et al.
PHYSICAL REVIEW B (2010)
Meshfree eigenstate calculation of arbitrary quantum well structures
Fahhad Alharbi
PHYSICS LETTERS A (2010)
Numerical Methods for Electronic Structure Calculations of Materials
Yousef Saad et al.
SIAM REVIEW (2010)
Semiclassical origins of density functionals
Peter Elliott et al.
PHYSICAL REVIEW LETTERS (2008)
Quasi-continuum orbital-free density-functional theory: A route to multi-million atom non-periodic DFT calculation
Vikram Gavini et al.
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS (2007)
Generalization to higher dimensions of one-dimensional differential equation for Slater sum of an inhomogeneous electron liquid for a given local potential
A. Holas et al.
PHYSICS AND CHEMISTRY OF LIQUIDS (2006)
Globally convergent trust-region methods for self-consistent field electronic structure calculations
JB Francisco et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
The trust-region self-consistent field method: Towards a black-box optimization in Hartree-Fock and Kohn-Sham theories
L Thogersen et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Testing the kinetic energy functional: Kinetic energy density as a density functional
E Sim et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
A trust region method based on interior point techniques for nonlinear programming
RH Byrd et al.
MATHEMATICAL PROGRAMMING (2000)
A method to get an analytical expression for the non-interacting kinetic energy density functional
T Gál et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2000)
Share Paper
