205 citations · 591 across the 16 of their papers we have counts for
4 papers · 1 filter
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…
Fermi and Coulomb correlation effects upon the interacting quantum atoms energy partition
Isela Ruiz, Eduard Matito, Fernando José Holguín-Gallego +3
The Interacting Quantum Atoms (IQA) electronic energy partition is an important method in the field of quantum chemical topology which has given important insights of different sys…
Exact Exchange-Correlation Functional for the Infinitely Stretched Hydrogen Molecule
Eduard Matito, David Casanova, Xabier Lopez +1
The exchange-correlation hole density of the infinitely stretched (dissociated) hydrogen molecule can be cast into a closed analytical form by using its exact wave function. This p…
The Electron-pair Density Distribution of the Excited States of H
J. M. Mercero, M. Rodríguez-Mayorga, E. Matito +2
The non-monotonic behavior of the electron repulsion energy and the interelectronic distance, as a function of the internuclear separation, in the excited state of the…