73 citations · 138 across the 4 of their papers we have counts for
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Range separation of the Coulomb hole
Mireia Via-Nadal, Mauricio Rodríguez-Mayorga, Eloy Ramos-Cordoba +1
A range-separation of the Coulomb hole into two components, one of them being predominant at long interelectronic separations (hcI ) and the other at short distances (hcII ), is ex…
Partition of Optical Properties Into Orbital Contributions
Sebastian P. Sitkiewicz, Mauricio Rodriguez-Mayorga, Josep M. Luis +1
Nonlinear optical properties (NLOPs) play a major role in photonics, electro-optics and optoelectronics, and other fields of modern optics. The design of new NLO molecules and mate…
Singling Out Dynamic and Nondynamic Correlation
Mireia Via-Nadal, Mauricio Rodríguez-Mayorga, Eloy Ramos-Cordoba +1
The correlation part of the pair density is separated into two components, one of them being predominant at short electronic ranges and the other at long ranges. The analysis of th…
Local descriptors of dynamic and nondynamic correlation
Eloy Ramos-Cordoba, Eduard Matito
Quantitatively accurate electronic structure calculations rely on the proper description of electron correlation. A judicious choice of the approximate quantum chemistry method dep…
Salient Signature of van der Waals Interactions
Mireia Via-Nadal, Mauricio Rodríguez-Mayorga, Eduard Matito
van der Waals interactions govern the physics of a plethora of molecular structures. It is well known that the leading term in the distance-based London expansion of the van der Wa…