Derivation of von Weizsäcker Equation Based οn Green-Gauss Theorem

• Authors: Z. Romanowski , S. Krukowski
• Languages of publication: EN

Abstracts

EN

A simple and short derivation of von Weizsäcker equation for kinetic energy functional is presented. The derivation is based on the Green-Gauss theorem and is valid for one-electron systems. In the proof the asymptotic behavior of wave function for the finite systems was used. Two results important for kinetic energy functional evaluation are also derived as consequences of the Green-Gauss theorem.

Keywords

EN

31.15.E-; 71.15.Mb; 71.15.Dx

Discipline

• 31.15.E-: Density-functional theory
• 71.15.Mb: Density functional theory, local density approximation, gradient and other corrections
• 71.15.Dx: Computational methodology (Brillouin zone sampling, iterative diagonalization, pseudopotential construction)

• Journal: Acta Physica Polonica A
• Year: 2009
• Volume: 115
• Issue: 3
• Pages: 653-655

Dates

published

2009-03

received

2008-08-19

(unknown)

2008-10-19

Contributors

author

Z. Romanowski

• Interdisciplinary Centre for Materials Modelling, Pawińskiego 5a, 02-106 Warsaw, Poland

author

S. Krukowski

• Institute of High Pressure Physics of the Polish Academy of Sciences, Sokołowska 29/37, 01-142 Warsaw, Poland

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Identifiers

DOI

10.12693/APhysPolA.115.653