标题
Functional constructions with specified functional derivatives
作者
关键词
Potential functionals, Specified functional derivatives, Orbital-free density functional theory, Pauli potential, Kinetic energy density functional
出版物
THEORETICAL CHEMISTRY ACCOUNTS
Volume 135, Issue 12, Pages -
出版商
Springer Nature
发表日期
2016-10-28
DOI
10.1007/s00214-016-2013-7
参考文献
相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。- Approximating the Pauli Potential in Bound Coulomb Systems
- (2016) Kati Finzel 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
- 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
- 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
- Improved DFT Potential Energy Surfaces via Improved Densities
- (2015) Min-Cheol Kim et al. Journal of Physical Chemistry Letters
- Ions in solution: Density corrected density functional theory (DC-DFT)
- (2014) Min-Cheol Kim et al. JOURNAL OF CHEMICAL 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
- Understanding and Reducing Errors in Density Functional Calculations
- (2013) Min-Cheol Kim et al. PHYSICAL REVIEW LETTERS
- Issues and challenges in orbital-free density functional calculations
- (2012) V.V. Karasiev et al. COMPUTER PHYSICS COMMUNICATIONS
- Perspective on density functional theory
- (2012) Kieron Burke JOURNAL OF CHEMICAL PHYSICS
- Functional derivative of the kinetic energy functional for spherically symmetric systems
- (2011) Á. Nagy JOURNAL OF CHEMICAL PHYSICS
- Failure of the Weizsäcker kinetic energy functional for one-, two-, and three-electron distribution functions
- (2011) Debajit Chakraborty et al. JOURNAL OF MATHEMATICAL CHEMISTRY
- Positivity constraints and information-theoretical kinetic energy functionals
- (2011) S. B. Trickey et al. PHYSICAL REVIEW B
- The Pauli potential from the differential virial theorem
- (2010) Á. Nagy INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Interacting electrons, spin statistics, and information theory
- (2010) L. M. Ghiringhelli et al. JOURNAL OF CHEMICAL PHYSICS
- Condition on the Kohn–Sham kinetic energy and modern parametrization of the Thomas–Fermi density
- (2009) Donghyung Lee et al. JOURNAL OF CHEMICAL PHYSICS
- Reconstruction of Density Functionals from Kohn−Sham Potentials by Integration along Density Scaling Paths
- (2009) Alex P. Gaiduk et al. Journal of Chemical Theory and Computation
- Alternative descriptors of Coulomb systems and their relationship to the kinetic energy
- (2008) Á. Nagy CHEMICAL PHYSICS LETTERS
- 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
- Design of kinetic functionals for many-body electron systems: Combining analytical theory with Monte Carlo sampling of electronic configurations
- (2008) Luca M. Ghiringhelli et al. PHYSICAL REVIEW B
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