An iterative algorithm for simultaneous determination of the ground-state electron chemical potential and electron density of a multielectron system is formulated in terms of the density functional theory. With the energy potential in the local density approximation as an example it is shown that the equality of the electronegativities of the natural orbitals corresponds to the nonphysical electron density
The relations were analyzed between the electronic chemical potential of a chemical group in the gro...
Modern views on atomic and group electronegativity are classified. Trends in the electronegativity c...
Modern views on atomic and group electronegativity are classified. Trends in the electronegativity c...
An iterative algorithm for simultaneous determination of the ground-state electron chemical potentia...
An iterative algorithm for simultaneous determination of the ground-state electron chemical potentia...
The possibility is discussed for determination of chemical potential (electronegativity) of an elect...
The possibility is discussed for determination of chemical potential (electronegativity) of an elect...
The possibility is discussed for determination of chemical potential (electronegativity) of an elect...
The Donnelly-Parr version of the density-matrix functional theory [R.A. Donnelly, R.G. Parr, J. Chem...
The Donnelly-Parr version of the density-matrix functional theory [R.A. Donnelly, R.G. Parr, J. Chem...
The Donnelly-Parr version of the density-matrix functional theory [R.A. Donnelly, R.G. Parr, J. Chem...
The Donnelly-Parr version of the density-matrix functional theory [R.A. Donnelly, R.G. Parr, J. Chem...
Density functional (DF) theory has proved to be a powerful way to determine the ground state energy ...
Density-functional theory allows a systematic theoretical approach for quantifying electronegativity...
The relations were analyzed between the electronic chemical potential of a chemical group in the gro...
The relations were analyzed between the electronic chemical potential of a chemical group in the gro...
Modern views on atomic and group electronegativity are classified. Trends in the electronegativity c...
Modern views on atomic and group electronegativity are classified. Trends in the electronegativity c...
An iterative algorithm for simultaneous determination of the ground-state electron chemical potentia...
An iterative algorithm for simultaneous determination of the ground-state electron chemical potentia...
The possibility is discussed for determination of chemical potential (electronegativity) of an elect...
The possibility is discussed for determination of chemical potential (electronegativity) of an elect...
The possibility is discussed for determination of chemical potential (electronegativity) of an elect...
The Donnelly-Parr version of the density-matrix functional theory [R.A. Donnelly, R.G. Parr, J. Chem...
The Donnelly-Parr version of the density-matrix functional theory [R.A. Donnelly, R.G. Parr, J. Chem...
The Donnelly-Parr version of the density-matrix functional theory [R.A. Donnelly, R.G. Parr, J. Chem...
The Donnelly-Parr version of the density-matrix functional theory [R.A. Donnelly, R.G. Parr, J. Chem...
Density functional (DF) theory has proved to be a powerful way to determine the ground state energy ...
Density-functional theory allows a systematic theoretical approach for quantifying electronegativity...
The relations were analyzed between the electronic chemical potential of a chemical group in the gro...
The relations were analyzed between the electronic chemical potential of a chemical group in the gro...
Modern views on atomic and group electronegativity are classified. Trends in the electronegativity c...
Modern views on atomic and group electronegativity are classified. Trends in the electronegativity c...