1 citations · 1 across the 4 of their papers we have counts for
4 papers
Insulator -- half metallic transition by the tetragonal distortion: A first-principles study of strain-induced perovskite RbMnF
N. Tsogbadrakh, N. Tuvjargal, Chun Feng +2
From the spin polarized density functional total energy calculations, we shown that the ground state of cubic perovskite RbMnF is an antiferromagnetic (AFM) insulator due to th…
Imaginary time density functional calculation of ground states for second-row atoms using CWDVR approach
D. Naranchimeg, L. Khenmedekh, G. Munkhsaikhan +1
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 seco…
Tunable Magnetism of Transition Metal Nanostructures by Hydrogenated Graphene
T. Tsevelmaa, Chunfeng, D. Odkhuu +2
Controlling magnetism of transition metal atoms by pairing with electronic states of graphene is intriguing. Herein, through first - principle computation we explore the possib…
Discrete variable representation method calculation of the electronic structure of noble gas atoms
D. Naranchimeg, L. Khenmedekh, G. Munkhsaikhan +1
We have been calculated the ground state charge densities and energies of noble gas atoms through a single time dependent quantum fluid Schrdinger equation. By using imag…