Celestino Angeli, Ph.D.
Affiliations: | 1998- | Chemical and Pharmaceutical Sciences | University of Ferrara, Ferrara, Emilia-Romagna, Italy |
Area:
Theoretical Chemistry, Physical ChemistryGoogle:
"Celestino Angeli"Mean distance: 39813
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Publications
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| Fernández Galván I, Vacher M, Alavi A, et al. (2019) OpenMolcas: From source code to insight. Journal of Chemical Theory and Computation |
| Kollmar C, Sivalingam K, Helmich-Paris B, et al. (2019) A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function. Journal of Computational Chemistry |
| Ponzi A, Quadri N, Angeli C, et al. (2019) Electron correlation effects in the photoionization of CO and isoelectronic diatomic molecules. Physical Chemistry Chemical Physics. 21: 1937-1951 |
| Giner E, Angeli C, Garniron Y, et al. (2017) A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves. The Journal of Chemical Physics. 146: 224108 |
| Freitag L, Knecht S, Angeli C, et al. (2017) Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group. Journal of Chemical Theory and Computation. 13: 451-459 |
| Giner E, Tenti L, Angeli C, et al. (2017) Computation of the Isotropic Hyperfine Coupling Constant: Efficiency and Insights from a New Approach Based on Wave Function Theory. Journal of Chemical Theory and Computation |
| Giner E, Angeli C, Scemama A, et al. (2017) Orthogonal Valence Bond Hamiltonians incorporating dynamical correlation effects Computational and Theoretical Chemistry. 1116: 134-140 |
| Tenti L, Giner E, Malrieu J, et al. (2017) Strongly localized approaches for delocalized systems. I. Ground state of linear polyenes Computational and Theoretical Chemistry. 1116: 102-111 |
| Giner E, Tenti L, Angeli C, et al. (2016) The "Fermi hole" and the correlation introduced by the symmetrization or the anti-symmetrization of the wave function. The Journal of Chemical Physics. 145: 124114 |
| Tenti L, Maynau D, Angeli C, et al. (2016) Highly efficient perturbative + variational strategy based on orthogonal valence bond theory for the evaluation of magnetic coupling constants. Application to the trinuclear Cu(ii) site of multicopper oxidases. Physical Chemistry Chemical Physics. 18: 18365-18380 |