196 citations · 471 across the 13 of their papers we have counts for
4 papers · 1 filter
Spectral density and metal-insulator phase transition in Mott insulators within RDMFT
S. Sharma, J. K. Dewhurst, S. Shallcross +1
We present a method for calculating the spectrum of periodic solids within reduced density matrix functional theory. This method is validated by a detailed comparison of the angula…
Doping induced metal-insulator phase transition in NiO
Y. Shinohara, S. Sharma, J. K. Dewhurst +3
The insulator to metal phase transition in NiO is studied within the framework of reduced density matrix functional theory and density functional theory. We find that the spectral…
Enhanced excitonic effects in the energy loss spectra of LiF and Ar at large momentum transfer
S. Sharma, J. K. Dewhurst, A. Sanna +2
It is demonstrated that the bootstrap kernel [\onlinecite{sharma11}] for finite values of crucially depends upon the matrix character of the kernel and gives results of t…
Ionization potentials and electron affinities from reduced density matrix functional theory
E. N. Zarkadoula, S. Sharma, J. K. Dewhurst +2
In the recent work of S. Sharma \emph{et al.}, (arxiv.org: arxiv:0912.1118), a single-electron spectrum associated with the natural orbitals was defined as the derivative of the to…