2 papers
quant-ph2026
Shannon and Rényi entropies of molecular densities: insights into extensivity and the incomplete description of electron correlation
Diogo J. L. Rodrigues, Evelio Francisco, Ángel Martín Pendás
In this work, we investigate the reliability of information-theoretic measures based on the electron-density and shape-function, specifically Shannon and Rényi entropies, as descri…
physics.chem-ph2016
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…