arXiv subjects

D. Naranchimeg

Publications and source records attributed to D. Naranchimeg.

2 recordsLinked to original sources

arXiv2019

Imaginary time density functional calculation of ground states for second-row atoms using CWDVR approach

We have developed the Coulomb wave function discrete variable representation (CWDVR) method to solve the imaginary time dependent Kohn - Sham equation on the many - electronic second row atoms. The imaginary time dependent Kohn - Sham equation is numerically solved using the CWDVR method. We have presented that the results of calculation for second row Li, Be, B, C, N, O and F atoms are in good agreement with other best available values using the Mathematica 7.0 programm.

physics.comp-ph↗

arXiv2018

Discrete variable representation method calculation of the electronic structure of noble gas atoms

We have been calculated the ground state charge densities and energies of noble gas atoms through a single time dependent quantum fluid Schr$\ddot{o}$dinger equation. By using imaginary - time, the Schr$\ddot{o}$dinger equation has been transformed into diffusion equation. This equation numerically solved through discrete variable representation (DVR) method. Instead of the usual finite difference method the radial coordinate is discretized using the discrete variable representation constructed from Coulomb wave functions. Our calculations were performed using the Mathematica 7.0 programm.

physics.comp-ph↗