11 citations · 11 across the 5 of their papers we have counts for
5 papers
Self-interaction corrected Kohn-Sham effective potentials using the density-consistent effective potential method
Carlos M. Diaz, Luis Basurto, Santosh Adhikari +4
Density functional theory (DFT) and beyond-DFT methods are often used in combination with photoelectron spectroscopy to obtain physical insights into the electronic structure of mo…
Fermi-Löwdin orbital self-interaction correction using the strongly constrained and appropriately normed meta-GGA functional
Yoh Yamamoto, Carlos M. Diaz, Luis Basurto +3
Despite the success of density functional approximations (DFAs) in describing the electronic properties of many-electron systems, the most widely used approximations suffer from se…
Substituent-level Tuning of Frontier Orbital Energy Levels in Phthalocyanine/C60 Donor-Acceptor Charge Transfer Pairs
Marco Olguin, Luis Basurto, Rajendra R. Zope +1
We have calculated several low-lying Charge Transfer (CT) excited-state energies for four non-covalently bound dyads composed of a sulfonated-ZnPc coupled to C60. Our results show…
The Effect of Structural Conformational Changes on Charge Transfer States in a Light-Harvesting Carotenoid-diaryl-Porphyrin-C60 Molecular Triad
Marco Olguin, Rajendra R. Zope, Tunna Baruah
We present a detailed study of charge transfer (CT) excited states for a large number of structural conformations in a light-harvesting Carotenoid-diaryl-Porphyrin-C60 (CPC60) mole…
Electronic structure and charge transfer excited states of a multichromophoric antenna
Luis Basurto, Rajendra R. Zope, Tunna Baruah
The electronic structure of a multichromophoric molecular complex containing two of each borondipyrromethane dye, Zn-tetraphenyl-porphyrin, bisphenyl anthracene and a fullerene are…