10 citations · 10 across the 3 of their papers we have counts for
3 papers
physics.chem-ph2013★ 10 cited
Testing excited-state energy density functional and potential with the ionization potential theorem
M. Hemanadhan, Md. Shamim, Manoj K. Harbola
The modified local spin density functional and the related local potential for excited states is tested by employing the ionization potential theorem. The functional is constructed…
physics.chem-ph2012
Accurate exchange energy and total energy for excited states: Inclusion of gradient correction
Md. Shamim, Manoj K. Harbola
We present an approach for accurate calculation of exchange energy and total energy for excited states using time independent density functional formalism. This is done by inclusio…
cond-mat.other2011
Exchange Potential for excited states: A self- consistent DFT calculation
Md Shamim, M K Harbola
An LDA exchange potential is proposed for excited states and to test this potential we apply it to the excited states of atomic system. The potential is an approximate functional d…