Insights into Current Limitations of Density Functional Theory, Science, vol.126, issue.19, p.792, 2002. ,
DOI : 10.1063/1.2741248
Density Functional Theory of Atoms and Molecules, 1989. ,
DOI : 10.1007/978-94-009-9027-2_2
Electrophilicity Index, Chemical Reviews, vol.106, issue.6, p.2065, 2006. ,
DOI : 10.1021/cr040109f
An explicit approach to conceptual density functional theory descriptors of arbitrary order, Chemical Physics Letters, vol.660, p.307, 2016. ,
DOI : 10.1016/j.cplett.2016.07.039
Electronegativity: The density functional viewpoint, The Journal of Chemical Physics, vol.68, issue.8, p.3801, 1978. ,
DOI : 10.1063/1.1677699
Atoms in Molecules, A Quantum Theory, 1990. ,
In The Encyclopedia of Computational Chemistry, 1998. ,
A simple measure of electron localization in atomic and molecular systems, The Journal of Chemical Physics, vol.12, issue.9, p.5397, 1990. ,
DOI : 10.1063/1.438955
Electron Localization in Solid-State Structures of the Elements: the Diamond Structure, Angewandte Chemie International Edition in English, vol.31, issue.2, p.187, 1992. ,
DOI : 10.1002/anie.199201871
Classification of chemical bonds based on topological analysis of
electron localization functions, Nature, vol.371, issue.6499, p.683, 1994. ,
DOI : 10.1038/371683a0
Bond metallicity of materials from real space charge density distributions, Chemical Physics Letters, vol.471, issue.1-3, p.174, 2009. ,
DOI : 10.1016/j.cplett.2009.02.018
A relation between kinetic-energy density and the band gap in alkali and alkaline-earth oxides, Journal of Physics: Condensed Matter, vol.22, issue.25, pp.255502-1594, 1984. ,
DOI : 10.1088/0953-8984/22/25/255502
The Quantum Theory of Atoms in Molecules. From Solid State to DNA and Drug Design, 2007. ,
Electron delocalization and bond formation under the ELF framework, Theoretical Chemistry Accounts, vol.31, issue.4-6, p.411, 2011. ,
DOI : 10.1002/ciuz.19970310303
Optical and electronic properties of dense sodium, Physical Review B, vol.83, issue.18, p.184106, 2011. ,
DOI : 10.1103/PhysRevLett.90.175701
Potassium under Pressure: A Pseudobinary Ionic Compound, Physical Review Letters, vol.103, issue.11, p.115501, 2009. ,
DOI : 10.1088/1367-2630/6/1/138
Structure and bonding: Intermolecular forces and clusters I, Int. J. Quantum Chem. Coord. Chem. Rev, vol.109, issue.249, pp.2542-633, 2005. ,
Description of Electron Delocalization via the Analysis of Molecular Fields, Chemical Reviews, vol.105, issue.10, p.3812, 2005. ,
DOI : 10.1021/cr030086p
Specialist Periodical Reports Chemical Modelling: Applications and Theory; A. Hinchliffe, Ed.; The Royal Socielty of Chemistry: Cambridge, p.391, 2002. ,
Specialist Periodical Reports Chemical Modelling: Applications and Theory; A. Hinchliffe, p.143, 2000. ,
Binding Regions in Diatomic Molecules, The Journal of Chemical Physics, vol.19, issue.2, p.208, 1951. ,
DOI : 10.1039/tf9454100141
Useful applications of the electron localization function in high-pressure crystal chemistry, Journal of Physics and Chemistry of Solids, vol.69, issue.9, p.2204, 2008. ,
DOI : 10.1016/j.jpcs.2008.03.028
Computation of Local and Global Properties of the Electron Localization Function Topology in Crystals, Journal of Chemical Theory and Computation, vol.5, issue.1, p.164, 2009. ,
DOI : 10.1021/ct800420n
Atomic shell structure and electron numbers, International Journal of Quantum Chemistry, vol.94, issue.4, p.875, 1996. ,
DOI : 10.1063/1.460049
Electronegativities and hardnesses of open shell atoms, The Journal of Chemical Physics, vol.46, issue.6, p.2741, 1984. ,
DOI : 10.1103/PhysRevB.20.3136
Should negative electron affinities be used for evaluating the chemical hardness?, Phys. Chem. Chem. Phys., vol.88, issue.6, p.2285, 2011. ,
DOI : 10.1103/PhysRevLett.88.073003
The Fukui potential is a measure of the chemical hardness, Chemical Physics Letters, vol.513, issue.1-3, p.127, 2011. ,
DOI : 10.1016/j.cplett.2011.07.059
A Quantum Chemical Interpretation of Compressibility in Solids, Journal of Chemical Theory and Computation, vol.5, issue.8, p.2108, 2009. ,
DOI : 10.1021/ct900224w
Local compressibilities in crystals, Physical Review B, vol.96, issue.21, p.13970, 2000. ,
DOI : 10.1029/90JB02725
Conceptual Quantum Chemistry: Present Aspects and Challenges for the Future, 2016. ,