Celestino Angeli - Dissemin

All papers authored by Celestino Angeli

This paper is available in a repository.

2017 Emmanuel Giner

, Celestino Angeli

, Yann Garniron

, Anthony Scemama

, Jean-Paul Malrieu

A Jeziorski-Monkhorst fully uncontracted Multi-Reference perturbative treatment I: principles, second-order versions and tests on ground state potential energy curves

Download from arxiv.org

This paper was not found in any repository, but could be made available legally by the author.

2016 Emmanuel Giner

, Lorenzo Tenti, Celestino Angeli

, Jean-Paul Malrieu

The “Fermi hole” and the correlation introduced by the symmetrization or the anti-symmetrization of the wave function

Upload

Emmanuel Giner

, Celestino Angeli

Spin density and orbital optimization in open shell systems: A rational and computationally efficient proposal

Download from www.researchgate.net

2015 Emmanuel Giner

, Celestino Angeli

Metal-ligand delocalization and spin density in the CuCl2 and [CuCl4]2− molecules: Some insights from wave function theory

Download from www.researchgate.net

2014 Enrico Ronca, Celestino Angeli

, Leonardo Belpassi, Filippo De Angelis, Francesco Tarantelli

, Mariachiara Pastore

Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States

Download from www.researchgate.net

C. De Graaf, Mariano Spivak, Celestino Angeli

, Carmen J. Calzado, Coen de Graaf, Angeli,C

Improving the calculation of magnetic coupling constants in MRPT methods

Download from www.researchgate.net

Muammar El Khatib

, Muammar El Khatib, Gian Luigi Bendazzoli, Stefano Evangelisti, Wissam Helal, Thierry Leininger, Lorenzo Tenti, Celestino Angeli

Beryllium Dimer: A Bond Based on Non-Dynamical Correlation

Download from www.researchgate.net

This paper was not found in any repository; the policy of its publisher is unknown or unclear.

Samer Gozem, Federico Melaccio, Alessio Valentini, Michael Filatov, Miquel Huix-Rotllant, Nicolas Ferré, Luis Manuel Frutos

, Luis Manuel Frutos, Celestino Angeli

, Anna I. Krylov, Alexander A. Granovsky, Roland Lindh, Massimo Olivucci

Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection

Upload

Aurora Ponzi, Celestino Angeli

, Renzo Cimiraglia, Sonia Coriani, Piero Decleva

Dynamical photoionization observables of the CS molecule: The role of electron correlation

Upload

Celestino Angeli

, Renzo Cimiraglia

Some Useful Odds and Ends From then-Electron Valence State Perturbation Theory

Download from www.researchgate.net

Enrico Ronca, Mariachiara Pastore, Leonardo Belpassi, Filippo De Angelis, Celestino Angeli

, Renzo Cimiraglia, Francesca Tarantelli

Charge-displacement analysis for excited states

Download from www.researchgate.net

2013 Elda Rossi, Stefano Evangelisti, Antonio Laganà, Antonio Monari

, Sergio Rampino, Marco Verdicchio, Kim K. Baldridge, Gian Luigi Bendazzoli, Stefano Borini, Renzo Cimiraglia, Celestino Angeli

, Peter Kallay, Hans P. Lüthi, Hans P. Luethi, Kenneth Ruud

and 5 other authors

Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model

Upload

Oriana Brea, Muammar El Khatib

, Celestino Angeli

, Gian Luigi Bendazzoli, Stefano Evangelisti, Thierry Leininger

Behavior of the Position–Spread Tensor in Diatomic Systems

Download from www.researchgate.net

Celestino Angeli

, Renzo Cimiraglia, Federico Dallo, Riccardo Guareschi, Lorenzo Tenti

Dependence of the Population on the Temperature in the Boltzmann Distribution: A Simple Relation Involving the Average Energy

Download from www.researchgate.net

Samer Gozem, Federico Melaccio, Roland Lindh, Anna I. Krylov, Alexander A. Granovsky, Celestino Angeli

, Massimo Olivucci

Mapping the Excited State Potential Energy Surface of a Retinal Chromophore Model with Multireference and Equation-of-Motion Coupled-Cluster Methods

Upload

Jean-Paul Malrieu, Celestino Angeli

The Møller-Plesset perturbation revisited: origin of high-order divergences

Upload

Celestino Angeli

, Renzo Cimiraglia, Jean-Paul Malrieu

Non-orthogonal and orthogonal valence bond wavefunctions in the hydrogen molecule: the diabatic view

Upload

C. Angeli

, R. Cimiraglia

Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program

Upload

Celestino Angeli

, Gian Luigi Bendazzoli, Stefano Evangelisti

The localization tensor for the H2 molecule: Closed formulae for the Heitler-London and related wavefunctions and comparison with full configuration interaction

Upload

2012 Celestino Angeli

, Renzo Cimiraglia, Mariachiara Pastore

A comparison of various approaches in internally contracted multireference configuration interaction: The carbon dimer as a test case

Download from www.researchgate.net

Missing publications? Search for publications with a matching author name.

Researcher

Statistics

Refine

All papers authored by Celestino Angeli