On the Single-Particle Kinetic Energy Density Functional in Hyper-spherical Reprezentation

• Authors: P. Kozlowski
• Languages of publication: EN

Abstracts

EN

The properties of hyperspherical representation where the one-body orbitals are expressed in terms of the square root of the electron density, ρ(r) and the angle functions {θ_{i}(r)}_{i=1,...,N-1}, (R.F. Nalewajski, P.M. Kozlowski, Acta Phys. Pol. A74, 287 (1988)) are discussed, and the expression for the kinetic energy density functional is analyzed. This expression contains the Weizsäcker term plus a correction determined by the angle functions. Taking into account both the limit of only one occupied level and the slowly varying electron density with large N, it is shown that the kinetic energy density functional interpolates correctly between the known results. Finally, an example of a linear harmonic oscillator is given and the relation between the usual orbital pictures is discussed.

Keywords

EN

02.90.+p; 31.20.Sy

Discipline

• 02.90.+p: Other topics in mathematical methods in physics (restricted to new topics in section 02)

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 1991
• Volume: 79
• Issue: 5
• Pages: 655-660

Dates

published

1991-05

received

1991-01-28

Contributors

author

P. Kozlowski

• Department of Chemistry, University of Arizona, Tucson, AZ 85721, USA

Identifiers

DOI

10.12693/APhysPolA.79.655