7 citations · 11 across the 5 of their papers we have counts for
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cond-mat.mtrl-sci2019★ 7 cited
Capturing Multireference Excited States by Constrained DFT
Nell Karpinski, Pablo Ramos, Michele Pavanello
The computation of excited electronic states with commonly employed (approximate) methods is challenging, typically yielding states of lower quality than the corresponding ground s…
physics.chem-ph2019
Ab-initio structure and dynamics of supercritical CO2
Wenhui Mi, Pablo Ramos, Jack Maranhao +1
Green technologies rely on green solvents and fluids. Among them, supercritical CO2 already finds many important applications. The molecular level understanding of the dynamics and…
cond-mat.str-el2019★ 4 cited
Static Correlation Density Functional Theory
Pablo Ramos, Michele Pavanello
Over the years, several schemes have been proposed to describe multireference systems with Kohn-Sham Density Functional Theory. Problematic is the combination of two aspects: the K…