Fermi-Löwdin orbital self-interaction correction using the strongly constrained and appropriately normed meta-GGA functional Y Yamamoto, CM Diaz, L Basurto, KA Jackson, T Baruah, RR Zope
The Journal of chemical physics 151 (15), 2019
57 2019 Self-interaction corrections applied to Mg-porphyrin, C60, and pentacene molecules MR Pederson, T Baruah, D Kao, L Basurto
The Journal of chemical physics 144 (16), 2016
55 2016 Fermi-Löwdin orbital self-interaction correction to magnetic exchange couplings RP Joshi, K Trepte, KPK Withanage, K Sharkas, Y Yamamoto, L Basurto, ...
The Journal of Chemical Physics 149 (16), 2018
44 2018 The electronic structure and charge transfer excited states of the endohedral trimetallic nitride C 80 (I h) fullerenes–Zn-tetraphenyl porphyrin dyads L Basurto, F Amerikheirabadi, R Zope, T Baruah
Physical Chemistry Chemical Physics 17 (8), 5832-5839, 2015
25 2015 Site specific atomic polarizabilities in endohedral fullerenes and carbon onions RR Zope, S Bhusal, L Basurto, T Baruah, K Jackson
The Journal of Chemical Physics 143 (8), 2015
17 2015 The effect of structural changes on charge transfer states in a light-harvesting carotenoid-diaryl-porphyrin-C60 molecular triad M Olguin, L Basurto, RR Zope, T Baruah
The Journal of Chemical Physics 140 (20), 2014
14 2014 Self-interaction-corrected Kohn–Sham effective potentials using the density-consistent effective potential method CM Diaz, L Basurto, S Adhikari, Y Yamamoto, A Ruzsinszky, T Baruah, ...
The Journal of Chemical Physics 155 (6), 2021
11 2021 Self-interaction correction to density functional approximations using Fermi-Löwdin orbitals: Methodology and parallelization Y Yamamoto, L Basurto, CM Diaz, RR Zope, T Baruah
Unpublished. D 68, 2840-2847, 1999
10 1999 FLOSIC 0.2, based on the NRLMOL code of MR Pederson RR Zope, T Baruah, Y Yamamoto, L Basurto, CM Diaz, JE Peralta, ...
The code is available to download at https://github. com/FLOSIC …, 2022
9 2022 Density functional study of the electronic structure of dye-functionalized fullerenes and their model donor-acceptor complexes containing P3HT T Baruah, A Garnica, M Paggen, L Basurto, RR Zope
The Journal of Chemical Physics 144 (14), 2016
7 2016 Density functional investigation of the electronic structure and charge transfer excited states of a multichromophoric antenna L Basurto, RR Zope, T Baruah
Chemical Physics 469, 1-8, 2016
3 2016 Self-Interaction correction using Fermi-Lowdin orbitals: Methodology and Parallelization L Basurto, Y Yamamoto, C Diaz, T Baruah, R Zope
Bulletin of the American Physical Society 65, 2020
2020 Kohn-Sham effective potentials from FLOSIC using Ryabinkin-Kohut-Staroverov method C Diaz, L Basurto, R Zope
Bulletin of the American Physical Society 65, 2020
2020 Ionization potentials and static dipole polarizabilities of polyacenes using Fermi-Lowdin self-interaction corrected density functional approximation S Akter, Y Yamamoto, L Basurto, T Baruah, R Zope
APS March Meeting Abstracts 2019, H31. 005, 2019
2019 Endohedral fullerenes contaning transition-metal clusters S Bhusal, L Basurto, R Zope, T Baruah
APS March Meeting Abstracts 2017, M1. 372, 2017
2017 Dye attached fullerene and P3HT complexes A Garnica, L Basurto, R Zope, T Baruah
APS March Meeting Abstracts 2015, H1. 082, 2015
2015 Electronic structure and charge transfer excitation energies of three endohedral fullerene-ZnTPP/ZnPc dyads F Amerikheirabadi, L Basurto, R Zope, T Baruah
APS March Meeting Abstracts 2015, H1. 083, 2015
2015 Electronic structure and charge transfer excitation energies of a Sc F Amerikheirabadi, L Basurto, T Baruah, R Zope
Bulletin of the American Physical Society 59, 2014
2014 Computational Search for Novel Endohedral Fullerenes L Basurto, T Baruah, R Zope
Bulletin of the American Physical Society 58, 2013
2013 Substituent-level Tuning of Frontier Orbital Energy Levels in Phthalocyanine/C60 Donor-Acceptor Charge Transfer Pairs M Olguin, L Basurto, RR Zope, T Baruah
arXiv preprint arXiv:1308.2001, 2013
2013 
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