标题
Two-point weighted density approximations for the kinetic energy density functional
作者
关键词
Kinetic energy functional, Orbital-free density functional theory, Weighted density approximation, Model one-electron reduced density matrices
出版物
THEORETICAL CHEMISTRY ACCOUNTS
Volume 136, Issue 9, Pages -
出版商
Springer Nature
发表日期
2017-09-27
DOI
10.1007/s00214-017-2149-0
参考文献
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- (2017) Kati Finzel et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Approximating the Pauli Potential in Bound Coulomb Systems
- (2016) Kati Finzel INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Alternative Ornstein-Zernike models from the homogeneous electron liquid for density functional theory calculations
- (2016) Rogelio Cuevas-Saavedra et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Energy-surfaces from the upper bound of the Pauli kinetic energy
- (2016) Kati Finzel et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- About the compatibility between ansatzes and constraints for a local formulation of orbital-free density functional theory
- (2016) Kati Finzel INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Local conditions for the Pauli potential in order to yield self-consistent electron densities exhibiting proper atomic shell structure
- (2016) Kati Finzel JOURNAL OF CHEMICAL PHYSICS
- Functional constructions with specified functional derivatives
- (2016) K. Finzel et al. THEORETICAL CHEMISTRY ACCOUNTS
- Reinvestigation of the ideal atomic shell structure and its application in orbital-free density functional theory
- (2016) K. Finzel THEORETICAL CHEMISTRY ACCOUNTS
- A simple approximation for the Pauli potential yielding self-consistent electron densities exhibiting proper atomic shell structure
- (2015) Kati Finzel INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Design of exchange-correlation functionals through the correlation factor approach
- (2015) Jana Pavlíková Přecechtělová et al. JOURNAL OF CHEMICAL PHYSICS
- Adiabatic-connection fluctuation-dissipation DFT for the structural properties of solids—The renormalized ALDA and electron gas kernels
- (2015) Christopher E. Patrick et al. JOURNAL OF CHEMICAL PHYSICS
- Construction of exchange-correlation functionals through interpolation between the non-interacting and the strong-correlation limit
- (2015) Yongxi Zhou et al. JOURNAL OF CHEMICAL PHYSICS
- Atomic shell structure from the Single-Exponential Decay Detector
- (2014) Piotr de Silva et al. JOURNAL OF CHEMICAL PHYSICS
- Approximating the exchange energy through the nonempirical exchange-factor approach
- (2014) Hélène Antaya et al. PHYSICAL REVIEW A
- Extracting Information about Chemical Bonding from Molecular Electron Densities via Single Exponential Decay Detector (SEDD)
- (2013) Piotr de Silva et al. CHIMIA
- Addressing the Coulomb potential singularity in exchange-correlation energy integrals with one-electron and two-electron basis sets
- (2012) Rogelio Cuevas-Saavedra et al. CHEMICAL PHYSICS LETTERS
- Revealing the Bonding Pattern from the Molecular Electron Density Using Single Exponential Decay Detector: An Orbital-Free Alternative to the Electron Localization Function
- (2012) Piotr de Silva et al. CHEMPHYSCHEM
- Symmetric Nonlocal Weighted Density Approximations from the Exchange-Correlation Hole of the Uniform Electron Gas
- (2012) Rogelio Cuevas-Saavedra et al. Journal of Chemical Theory and Computation
- Using the spin-resolved electronic direct correlation function to estimate the correlation energy of the spin-polarized uniform electron gas
- (2012) Rogelio Cuevas-Saavedra et al. JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
- Symmetric two-point weighted density approximation for exchange energies
- (2012) Rogelio Cuevas-Saavedra et al. PHYSICAL REVIEW A
- A variational principle for the electron density using the exchange hole & its implications for N-representability
- (2012) Paul W. Ayers et al. PHYSICS LETTERS A
- A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions
- (2011) Lars Goerigk et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Nonlocal orbital-free kinetic energy density functional for semiconductors
- (2010) Chen Huang et al. PHYSICAL REVIEW B
- ON THE N-REPRESENTABILITY AND UNIVERSALITY OF F[ρ] IN THE HOHENBERG-KOHN-SHAM VERSION OF DENSITY FUNCTIONAL THEORY
- (2008) EDUARDO V. LUDEÑA et al. INTERNATIONAL JOURNAL OF MODERN PHYSICS B
- Fully nonlocal kinetic energy density functionals: A proposal and a general assessment for atomic systems
- (2008) David García-Aldea et al. JOURNAL OF CHEMICAL PHYSICS
- Approach to kinetic energy density functionals: Nonlocal terms with the structure of the von Weizsäcker functional
- (2008) David García-Aldea et al. PHYSICAL REVIEW A
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