550 citations · 651 across the 9 of their papers we have counts for
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Solvation Entropy Made Simple
Alejandro J. Garza
The entropies of molecules in solution are routinely calculated using gas phase formulae. It is assumed that, because implicit solvation models are fitted to reproduce free energie…
Reaction Mechanism of the Selective Reduction of CO to CO by a Tetraaza [CoNH] Complex in the Presence of Protons
Alejandro J. Garza, Srimanta Pakhira, Alexis T. Bell +2
The tetraaza [CoNH] complex (\textbf{1}) is remarkable for its ability to selectively reduce CO to CO with 45\% Faradaic efficiency and a CO to H rat…
Actinide chemistry using singlet-paired coupled cluster and its combinations with density functionals
Alejandro J. Garza, Ana G. Sousa Alencar, Gustavo E. Scuseria
Singlet-paired coupled cluster doubles (CCD0) is a simplification of CCD that relinquishes a fraction of dynamic correlation in order to be able to describe static correlation. Com…
Combinations of coupled cluster, density functionals, and the random phase approximation for describing static and dynamic correlation, and van der Waals interactions
Alejandro J. Garza, Ireneusz W. Bulik, Ana G. Sousa Alencar +3
Contrary to standard coupled cluster doubles (CCD) and Brueckner doubles (BD), singlet-paired analogues of CCD and BD (denoted here as CCD0 and BD0) do not break down when static c…
On the equivalence of LIST and DIIS methods for convergence acceleration
Alejandro J. Garza, Gustavo E. Scuseria
Self-consistent field extrapolation methods play a pivotal role in quantum chemistry and electronic structure theory. We here demonstrate the mathematical equivalence between the r…