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most citedSubstitution- and Strain-induced Magnetic Phase Transition in Iron Carbide

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physics.comp-ph2019

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…