Imaginary time density functional calculation of ground states for second-row atoms using CWDVR approach
arXiv:1902.03581
Abstract
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.
8 pages, 3 figure, 1 table, Published on Mongolian Journal of Physics (ISSN 2414-9756), Issue 4, December, 2018 by the Mongolian Physical Society (MPS)