956 citations · 6.7k across the 107 of their papers we have counts for
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Minimization procedure in reduced density matrix functional theory by means of an effective noninteracting system
Tim Baldsiefen, E. K. U. Gross
In this work, we propose a self-consistent minimization procedure for functionals in reduced density matrix functional theory. We introduce an effective noninteracting system at fi…
Ab-initio angle and energy resolved photoelectron spectroscopy with time-dependent density-functional theory
U. De Giovannini, D. Varsano, M. A. L. Marques +3
We present a time-dependent density-functional method able to describe the photoelectron spectrum of atoms and molecules when excited by laser pulses. This computationally feasible…
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…
Multiplicity of solutions to GW-type approximations
F. Tandetzky, J. K. Dewhurst, S. Sharma +1
We show that the equations underlying the approximation have a large number of solutions. This raises the question: which is the physical solution? We provide two theorems whi…
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…