124 citations · 296 across the 7 of their papers we have counts for
8 papers
Numerical integration of intracule pair densities with optimized multicenter grids
Markel Ylla, Jesus M. Ugalde, Eduard Matito +1
Intracule pair densities provide insight into electron correlation, but their routine analysis in extended systems is limited by the cost of numerical integration and the restricti…
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…
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…
The Coulomb Hole of the Ne atom
Mauricio Rodríguez-Mayorga, Eloy Ramos-Cordoba, Xabier Lopez +3
We analyze the Coulomb hole of Ne from highly-accurate CISD wave functions obtained from optimized even-tempered basis sets. Using a two-fold extrapolation procedure we obtain high…
Separation of Dynamic and Nondynamic Correlation
Eloy Ramos-Cordoba, Pedro Salvador, Eduard Matito
The account of electron correlation and its efficient separation into dynamic and nondynamic parts plays a key role in the development of computational methods. In this paper we su…
Bonding Description of the Harpoon Mechanism
Mauricio Rodriguez-Mayorga, Eloy Ramos-Cordoba, Pedro Salvador +2
The lowest-lying states of LiH have been widely used to develop and calibrate many different methods in quantum mechanics. In this paper we show that the electron-transfer processe…
H: A Challenging System For Natural Orbital Functional Approximations
Eloy Ramos-Cordoba, Xabier Lopez, Mario Piris +1
The correct description of nondynamic correlation by electronic structure methods not belonging to the multireference family is a challenging issue. The transition of to $…