Celestino Angeli

Via Borsari 76
Ferrara, 44121, Italy

Last Updated: 09/26/2026

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Found 42 publications

Entanglement and Mutual Information in Molecules: Comparing Localized and Delocalized Orbitals.

Entanglement and Mutual Information in Molecules: Comparing Localized and Delocalized Orbitals.

Journal: Journal of chemical theory and computation

Published: December 04, 2024

Quantum Information Driven Ansatz (QIDA): Shallow-Depth Empirical Quantum Circuits from Quantum Chemistry.

Quantum Information Driven Ansatz (QIDA): Shallow-Depth Empirical Quantum Circuits from Quantum Chemistry.

Journal: The journal of physical chemistry. A

Published: September 23, 2024

Quantum information reveals that orbital-wise correlation is essentially classical in natural orbitals.

Quantum information reveals that orbital-wise correlation is essentially classical in natural orbitals.

Journal: The Journal of chemical physics

Published: May 24, 2024

Mapping of Hückel zigzag carbon nanotubes onto independent polyene chains: Application to periodic nanotubes.

Mapping of Hückel zigzag carbon nanotubes onto independent polyene chains: Application to periodic nanotubes.

Journal: The Journal of chemical physics

Published: April 04, 2023

The localization spread and polarizability of rings and periodic chains.

The localization spread and polarizability of rings and periodic chains.

Journal: The Journal of chemical physics

Published: October 02, 2021

OpenMolcas: From Source Code to Insight.

OpenMolcas: From Source Code to Insight.

Journal: Journal of chemical theory and computation

Published: September 12, 2019

Electron correlation effects in the photoionization of CO and isoelectronic diatomic molecules.

Electron correlation effects in the photoionization of CO and isoelectronic diatomic molecules.

Journal: Physical chemistry chemical physics : PCCP

Published: January 12, 2019

A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function.

A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function.

Journal: Journal of computational chemistry

Published: November 21, 2018

A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves.

A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves.

Journal: The Journal of chemical physics

Published: November 23, 2017

Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group.

Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group.

Journal: Journal of chemical theory and computation

Published: January 18, 2017

Computation of the Isotropic Hyperfine Coupling Constant: Efficiency and Insights from a New Approach Based on Wave Function Theory.

Computation of the Isotropic Hyperfine Coupling Constant: Efficiency and Insights from a New Approach Based on Wave Function Theory.

Journal: Journal of chemical theory and computation

Published: January 18, 2017

The "Fermi hole" and the correlation introduced by the symmetrization or the anti-symmetrization of the wave function.

The "Fermi hole" and the correlation introduced by the symmetrization or the anti-symmetrization of the wave function.

Journal: The Journal of chemical physics

Published: October 27, 2016

Showing 1-12 of 42

Last Updated: 09/26/2026