956 citations · 2.2k across the 38 of their papers we have counts for
3 papers · 1 filter
Spectrum for non-magnetic Mott insulators from power functional within Reduced Density Matrix Functional Theory
Y. Shinohara, S. Sharma, S. Shallcross +3
A fully first principles theory capable of treating strongly correlated solids remains the outstanding challenge of modern day materials science. This is exemplified by the transit…
Laser-induced electron localization in H: Mixed quantum-classical dynamics based on the exact time-dependent potential energy surface
Yasumitsu Suzuki, Ali Abedi, Neepa T. Maitra +1
We study the exact nuclear time-dependent potential energy surface (TDPES) for laser-induced electron localization with a view to eventually developing a mixed quantum-classical dy…
Ab initio calculation of a Pb single layer on a Si substrate: two-dimensionality and superconductivity
A. Linscheid, A. Sanna, E. K. U. Gross
We report on first principles calculations of superconductivity in a single layer of lead on a silicon substrate including a full treatment of phononic and RPA screened coulomb int…