Related references
Note: Only part of the references are listed.Numerical methods for the inverse problem of density functional theory
Daniel S. Jensen et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2018)
Nonadditive kinetic potentials from inverted Kohn-Sham problem
Mojdeh Banafsheh et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2018)
Accurate Reference Data for the Nonadditive, Noninteracting Kinetic Energy in Covalent Bonds
Jonathan Nafziger et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Modified Fourth-Order Kinetic Energy Gradient Expansion with Hartree Potential-Dependent Coefficients
Lucian A. Constantin et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Reply to Comment on 'Single-point kinetic energy density functionals: A pointwise kinetic energy density analysis and numerical convergence investigation'
Junchao Xia et al.
PHYSICAL REVIEW B (2015)
Comment on Single-point kinetic energy density functionals: A pointwise kinetic energy density analysis and numerical convergence investigation
S. B. Trickey et al.
PHYSICAL REVIEW B (2015)
Single-point kinetic energy density functionals: A pointwise kinetic energy density analysis and numerical convergence investigation
Junchao Xia et al.
PHYSICAL REVIEW B (2015)
Density-Based Partitioning Methods for Ground-State Molecular Calculations
Jonathan Nafziger et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2014)
Subsystem density-functional theory
Christoph R. Jacob et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2014)
LIBXC: A library of exchange and correlation functionals for density functional theory
Miguel A. L. Marques et al.
COMPUTER PHYSICS COMMUNICATIONS (2012)
Molecular binding energies from partition density functional theory
Jonathan Nafziger et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Quantum mechanical embedding theory based on a unique embedding potential
Chen Huang et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Generalized Gradient Approximations of the Noninteracting Kinetic Energy from the Semiclassical Atom Theory: Rationalization of the Accuracy of the Frozen Density Embedding Theory for Nonbonded Interactions
S. Laricchia et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Semiclassical Neutral Atom as a Reference System in Density Functional Theory
Lucian A. Constantin et al.
PHYSICAL REVIEW LETTERS (2011)
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
M. Valiev et al.
COMPUTER PHYSICS COMMUNICATIONS (2010)
Nonlocal van der Waals density functional: The simpler the better
Oleg A. Vydrov et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Accurate frozen-density embedding potentials as a first step towards a subsystem description of covalent bonds
Samuel Fux et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Exact nonadditive kinetic potentials for embedded density functional theory
Jason D. Goodpaster et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Nonlocal orbital-free kinetic energy density functional for semiconductors
Chen Huang et al.
PHYSICAL REVIEW B (2010)
Performance of Kinetic Energy Functionals for Interaction Energies in a Subsystem Formulation of Density Functional Theory
Andreas W. Gotz et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
On the foundations of chemical reactivity theory
Morrel H. Cohen et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Van der Waals density functional theory with applications
DC Langreth et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2005)
Testing the kinetic energy functional: Kinetic energy density as a density functional
E Sim et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Link between the kinetic- and exchange-energy functionals in the generalized gradient approximation
F Tran et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2002)
Share Paper
