Juan I Melo

11PUBLICATIONS
15CO-AUTHORS
Theoretical quantum chemistryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterCondensed matter modelling and density functional theoryNumerical solution of differential and integral equationsIntegrable systems (classical and quantum)
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Publications (11)

|Feb 20, 2026
Noniterative Fermi-Löwdin Orbitals for Self-Interaction Correction.

Juan E Peralta, Koblar A Jackson, Mark R Pederson

|Dec 12, 2025
Performance of GESC and LRESC models for heavy-atom nuclear magnetic shieldings.

Andy D Zapata-Escobar, Juan I Melo, Gustavo A Aucar

|May 15, 2025
The role of relativistic effects in anisotropy for NMR shielding tensors: A study using the LRESC model.

Juan J Aucar, Alejandro F Maldonado, Juan I Melo

|Nov 14, 2024
Determining the N-Representability of a Reduced Density Matrix via Unitary Evolution and Stochastic Sampling.

Gustavo E Massaccesi, Ofelia B Oña, Pablo Capuzzi

|Aug 14, 2024
Generalized Spin in the Variance-Based Wave Function Optimization Method within the Doubly Occupied Configuration Interaction Framework.

Diego R Alcoba, Luis Lain, Alicia Torre

|Jul 10, 2024
DOCSIC: A Mean-Field Method for Orbital-by-Orbital Self-Interaction Correction.

Juan E Peralta, Veronica Barone, Juan I Melo

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Frequent Collaborators

6 joint publications

Juan E Peralta

4 joint publications

Ofelia B Oña

4 joint publications

Gustavo E Massaccesi

4 joint publications

Alicia Torre