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 | 56 | 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 | 43 | 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 | 13 | 2014 |
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using Fermi-Löwdin orbitals: Methodology and parallelization Y Yamamoto, L Basurto, CM Diaz, RR Zope, T Baruah Unpublished, 1999 | 10 | 1999 |
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 | 9 | 2021 |
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 N@ C -Zinc phthalocyanine (Znpc) complex 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 |
Electronic structure and charge transfer excited states of a multichromophoric antenna L Basurto, RR Zope, T Baruah arXiv preprint arXiv:1306.2627, 2013 | | 2013 |