Carlos M. Diaz

Universidad Autónoma de Bucaramanga — Colombia

Physics and Astronomy · Physical Sciences

6h-index135citations20works1.02yr avg
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Research Topics

Advanced Chemical Physics Studies(13), Spectroscopy and Quantum Chemical Studies(8), Machine Learning in Materials Science(6), Atmospheric Ozone and Climate(2), Advanced Physical and Chemical Molecular Interactions(2)

Publications20 total

Space Tourism: Progress, Obstacles and Growth Prospects Bearing in Mind Public and Private Projects
Smart innovation, systems and technologies·2024· 1 cited
Self-interaction-corrected Kohn–Sham effective potentials using the density-consistent effective potential method
The Journal of Chemical Physics·2021Open Access
Self-interaction corrected Kohn-Sham effective potentials using the\n density-consistent effective potential method
arXiv (Cornell University)·2021· 11 citedOpen Access
Fermi-Löwdin-orbital self-interaction correction using the optimized-effective-potential method within the Krieger-Li-Iafrate approximation
Physical review. A/Physical review, A·2021· 19 citedOpen Access
Self-consistency in the Fermi-Löwdin orbital self-interaction correction method using the Krieger-Li-Iafrate approximation
Bulletin of the American Physical Society·2021
Study of self-interaction errors in density functional predictions of dipole polarizabilities and ionization energies of water clusters using Perdew–Zunger and locally scaled self-interaction corrected methods
The Journal of Chemical Physics·2020Open Access
Study of self-interaction errors in density functional predictions of\n dipole polarizabilities and ionization energies of water clusters using\n Perdew-Zunger and locally scaled self-interaction corrected methods
arXiv (Cornell University)·2020Open Access
Comparison of regularized SCAN functional with SCAN functional with and without self-interaction for a wide-array of properties
arXiv (Cornell University)·2020Open Access
Fermi-Löwdin self-interaction correction for ground and excited states
Bulletin of the American Physical Society·2020
Computational Advancements towards Scalable Density Functional Calculations with and without Self-Interaction Correction
scholarworks - UTEP (The University of Texas at El Paso)·2020· 1 citedOpen Access
Assessing the effect of regularization on the molecular properties predicted by SCAN and self-interaction corrected SCAN meta-GGA
Physical Chemistry Chemical Physics·2020· 9 citedOpen Access
A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction
arXiv (Cornell University)·2019Open Access
Fermi-Löwdin orbital self-interaction correction using the strongly constrained and appropriately normed meta-GGA functional
The Journal of Chemical Physics·2019Open Access
Fermi-L\"owdin orbital self-interaction correction using the strongly constrained and appropriately normed meta-GGA functional
arXiv (Cornell University)·2019· 45 citedOpen Access
Self-interaction-free electric dipole polarizabilities for atoms and their ions using the Fermi-Löwdin self-interaction correction
Physical review. A/Physical review, A·2019· 31 citedOpen Access
Performance of the Fermi-Lowdin Self-Interaction Correction Method in Combination with meta-GGA Functionals
APS·2019
A DFT analysis of the ground and charge-transfer excited states of Sc<sub>3</sub>N@I<sub>h</sub>–C<sub>80</sub> fullerene coupled with metal-free and zinc-phthalocyanine
Physical Chemistry Chemical Physics·2018· 14 citedOpen Access
Scalability Improvements To NRLMOL For DFT Calculations Of Large Molecules
DigitalCommons@UTEP (The University of Texas at El Paso)·2016Open Access
Poly(aryl-ether-ether-ketone) as a Possible Metalized Film Capacitor Dielectric: Accurate Description of the Band Gap Through Ab Initio Calculation
2014· 4 cited
The role of dynamic correlation in double ionization of He by ion impact
APS·2000

Frequent Co-authors

Rajendra R. Zope(15), Tunna Baruah(14), Yoh Yamamoto(11), Koblar Alan Jackson(6), Luis Basurto(4), Santosh Adhikari(3), Adrienn Ruzsinszky(3), Sharmin Akter(2), John P. Perdew(2), Juan E. Peralta(2), Alan Salcedo(2), Kushantha P. K. Withanage(1), Chandra Shahi(1), Rajendra P. Joshi(1), Fatemeh Amerikheirabadi(1), Neetha Mohan(1), Md Shamsul Alam(1), Janet Ho(1), Marco Olguin(1), Fernando Martı́n(1)