Ofelia B. Oña

Consejo Nacional de Investigaciones Científicas y Técnicas — Argentina

Physics and Astronomy · Physical Sciences

16h-index823citations87works1.82yr avg
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Research Topics

Advanced Chemical Physics Studies(48), Spectroscopy and Quantum Chemical Studies(28), Magnetism in coordination complexes(15), Advanced NMR Techniques and Applications(11), Electron Spin Resonance Studies(11)

Publications87 total

Noniterative Fermi–Löwdin Orbitals for Self-Interaction Correction
The Journal of Physical Chemistry A·2026Open Access
Determining the ensemble N-representability of Reduced Density Matrices
arXiv (Cornell University)·2026Open Access
Determining the Ensemble <i>N</i> -Representability of Reduced Density Matrices
Journal of Chemical Theory and Computation·2025Open Access
Generalized spin in the variational determination of two-electron reduced density matrices within the doubly occupied configuration interaction framework
The Journal of Chemical Physics·2025
Determining the <i>N</i>-representability of transition reduced density matrices
The Journal of Chemical Physics·2025· 1 cited
Energy-variance minimization for ground and excited states in the Lipkin model and its application to molecular magnets
Theoretical Chemistry Accounts·2025Open Access
Variance-based wave function optimization within the unrestricted doubly occupied configuration interaction framework: A half-projection treatment
The Journal of Chemical Physics·2024· 2 cited
Determining the <i>N</i>-Representability of a Reduced Density Matrix via Unitary Evolution and Stochastic Sampling
Journal of Chemical Theory and Computation·2024· 3 citedOpen Access
Generalized Spin in the Variance-Based Wave Function Optimization Method within the Doubly Occupied Configuration Interaction Framework
The Journal of Physical Chemistry A·2024· 6 cited
DOCSIC: A Mean-Field Method for Orbital-by-Orbital Self-Interaction Correction
The Journal of Physical Chemistry A·2024· 3 citedOpen Access
A variance-based optimization for determining ground and excited <i>N</i>-electron wave functions within the doubly occupied configuration interaction scheme
The Journal of Chemical Physics·2024· 5 cited
Generalized spin <i>σ</i>-SCF method
The Journal of Chemical Physics·2023· 5 cited
Attaining the maximum Bose–Einstein condensation in a finite-size hard-core boson model
Journal of Physics A Mathematical and Theoretical·2023Open Access
Determination of electronic excitation energies within the doubly occupied configuration interaction space by means of the Hermitian operator method
The Journal of Chemical Physics·2023· 1 citedOpen Access
Two Shared Icosahedral Metallacarboranes through Iron: A Joint Experimental and Theoretical Refinement of Mössbauer Spectrum in [Fe(1,2-C<sub>2</sub>B<sub>9</sub>H<sub>11</sub>)<sub>2</sub>]Cs
ACS Omega·2023· 7 citedOpen Access
Studies of molecular dissociation by means of restricted and unrestricted treatments within the doubly occupied configuration interaction framework
International Journal of Quantum Chemistry·2023· 2 cited
A quantum-chemical study of boro-fullerenes B60H60, B60F30H30, and B60F60
Computational and Theoretical Chemistry·2022Open Access
Influence of the <i>N</i>-representability conditions on the variational determination of two-electron reduced density matrices for ground and excited <i>N</i>-electron states in the doubly occupied configuration interaction space
The Journal of Chemical Physics·2022· 8 cited
Variational determination of the two-electron reduced density matrix within the doubly occupied configuration interaction framework: Treatments of triplet <i>N</i>-electron systems
The Journal of Chemical Physics·2022· 3 cited
A Quantum-Chemical Study of Boro-Fullerenes B&lt;sub&gt;60&lt;/sub&gt;H&lt;sub&gt;60 &lt;/sub&gt;, B&lt;sub&gt;60&lt;/sub&gt;F&lt;sub&gt;30&lt;/sub&gt;H&lt;sub&gt;30&lt;/sub&gt; , and B&lt;sub&gt;60&lt;/sub&gt;F&lt;sub&gt;60&lt;/sub&gt;
Preprints.org·2022· 1 citedOpen Access
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Frequent Co-authors

Diego R. Alcoba(39), Alicia Torre(34), Luis Laín(34), Gustavo E. Massaccesi(21), Marta B. Ferraro(11), William Tiznado(10), Julio C. Facelli(8), M. C. Caputo(7), P. Capuzzi(7), Josep M. Oliva(7), Elías Ríos(6), V. Bazterra(5), Patricio Fuentealba(4), Patrick Bultinck(4), Dimitri Van Neck(4), Juan I. Melo(4), Juan E. Peralta(4), J. Dukelsky(4), Juan J. Torres‐Vega(3), Álvaro Rubio-García(3)