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Metal-ligand delocalization and spin density in the CuCl2 and [CuCl4]2- molecules: Some insights from wave function theory 2015 Giner, Emmanuel; Angeli, Celestino
Spin density and orbital optimization in open shell systems: A rational and computationally efficient proposal 2016 Giner, Emmanuel; Angeli, Celestino file con accesso da definire
The "fermi hole" and the correlation introduced by the symmetrization or the anti-symmetrization of the wave function 2016 Giner, Emmanuel; Tenti, Lorenzo; Angeli, Celestino; Malrieu, Jean Paul file con accesso da definire
Computation of the Isotropic Hyperfine Coupling Constant: Efficiency and Insights from a New Approach Based on Wave Function Theory 2017 Giner, Emmanuel; Tenti, Lorenzo; Angeli, Celestino; Ferré, Nicolas
A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves 2017 Giner, Emmanuel; Angeli, Celestino; Garniron, Yann; Scemama, Anthony; Malrieu, Jean-Paul
Strongly localized approaches for delocalized systems. I. Ground state of linear polyenes 2017 Tenti, Lorenzo; Giner, Emmanuel; Malrieu, Jean-Paul; Angeli, Celestino file con accesso da definire
Orthogonal Valence Bond Hamiltonians incorporating dynamical correlation effects 2017 Giner, E.; Angeli, C.; Scemama, A.; Malrieu, J. -P. file con accesso da definire
Mostrati risultati da 1 a 7 di 7
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