Add to ORKGAbstract. Electron correlation effects on atomic basin populations of AIM theory and the resulting de/localization of the basin charge and momentum densities, as measured by local Shannon entropies and basin kinetic energies, are discussed for a series of ten-, fourteen- and eighteen-electron molecules. These results are related to the nature of the chemical environment. Correlation effects on global Shannon entropies and kinetic energies are also examined. Key words: Shannon entropy, charge density, momentum density, electron correlation, AIM basin. Resumen. Los efectos de la correlación electrónica sobre las pobla-ciones de las cuencas atómicas de la teoría AIM, y la des/localización resultante de la densidad de carga en las cuencas, medi...
Electron density is used to compute Shannon entropy. The deviation from the Hartree–Fock (HF) of thi...
The electronic structure, a special quality of an atomic or molecular system, is the major factor fo...
Over the last years, immense efforts have been made to apply the quantities of information theory to...
In this work, we compute the Shannon entropy defined in terms of the one particle electron density ρ...
In this work, we compute the Shannon entropy defined in terms of the one particle electron density ρ...
In this work, we compute the Shannon entropy defined in terms of the one particle electron density ρ...
In this work, we compute Shannon entropy, defined in terms of electron density, for three series of ...
In this work, we compute Shannon entropy, defined in terms of electron density, for three series of ...
In this article, I will discuss the overlap between the concept of Shannon entropy and the concept o...
How to cite Complete issue More information about this article Journal's homepage in redalyc.or...
Electron density is used to compute Shannon entropy. The deviation from the Hartree-Fock (HF) of thi...
Electron density is used to compute Shannon entropy. The deviation from the Hartree-Fock (HF) of thi...
Electron density is used to compute Shannon entropy. The deviation from the Hartree-Fock (HF) of thi...
The quantum topological energy partitioning method Interacting Quantum Atoms (IQA) has been applied ...
Electron density is used to compute Shannon entropy. The deviation from the Hartree–Fock (HF) ...
Electron density is used to compute Shannon entropy. The deviation from the Hartree–Fock (HF) of thi...
The electronic structure, a special quality of an atomic or molecular system, is the major factor fo...
Over the last years, immense efforts have been made to apply the quantities of information theory to...
In this work, we compute the Shannon entropy defined in terms of the one particle electron density ρ...
In this work, we compute the Shannon entropy defined in terms of the one particle electron density ρ...
In this work, we compute the Shannon entropy defined in terms of the one particle electron density ρ...
In this work, we compute Shannon entropy, defined in terms of electron density, for three series of ...
In this work, we compute Shannon entropy, defined in terms of electron density, for three series of ...
In this article, I will discuss the overlap between the concept of Shannon entropy and the concept o...
How to cite Complete issue More information about this article Journal's homepage in redalyc.or...
Electron density is used to compute Shannon entropy. The deviation from the Hartree-Fock (HF) of thi...
Electron density is used to compute Shannon entropy. The deviation from the Hartree-Fock (HF) of thi...
Electron density is used to compute Shannon entropy. The deviation from the Hartree-Fock (HF) of thi...
The quantum topological energy partitioning method Interacting Quantum Atoms (IQA) has been applied ...
Electron density is used to compute Shannon entropy. The deviation from the Hartree–Fock (HF) ...
Electron density is used to compute Shannon entropy. The deviation from the Hartree–Fock (HF) of thi...
The electronic structure, a special quality of an atomic or molecular system, is the major factor fo...
Over the last years, immense efforts have been made to apply the quantities of information theory to...