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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 12, 2025
Simplification of the Fermi-Löwdin Self-Interaction Correction Method for Efficient Self-Interaction-Free Density Functional CalculationsSelim Romero, Yoh Yamamoto, Tunna Baruah, et al.The Journal of Chemical Physics|June 2, 2014
The effect of structural changes on charge transfer states in a light-harvesting carotenoid-diaryl-porphyrin-C60 molecular triadMarco Olguin, Luis Basurto, Rajendra R Zope, et al.Physical Chemistry Chemical Physics : PCCP|January 18, 2021
Local self-interaction correction method with a simple scaling factorSelim Romero, Yoh Yamamoto, Tunna Baruah, et al.The Journal of Chemical Physics|March 23, 2021
Static dipole polarizabilities of polyacenes using self-interaction-corrected density functional approximationsSharmin Akter, Yoh Yamamoto, Rajendra R Zope, et al.The Journal of Chemical Physics|May 10, 2020
Improvements in the orbitalwise scaling down of Perdew-Zunger self-interaction correction in many-electron regionsYoh Yamamoto, Selim Romero, Tunna Baruah, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 17, 2011
Molecular dynamics simulation of yttria-stabilized zirconia (YSZ) crystalline and amorphous solidsKah Chun Lau, Brett I DunlapThe Journal of Chemical Physics|August 3, 2015
Density perturbation theoryMark C Palenik, Brett I DunlapThe Journal of Chemical Physics|September 29, 2011
Shattering dissociation in high-energy molecular collisions between nitrate estersIgor V Schweigert, Brett I DunlapJournal of Physics. Condensed Matter : an Institute of Physics Journal|August 10, 2011
Lattice dielectric and thermodynamic properties of yttria stabilized zirconia solidsKah Chun Lau, Brett I DunlapThe Journal of Chemical Physics|July 2, 2009
Electronic structure and molecular dynamics of breaking the RO-NO2 bondIgor V Schweigert, Brett I DunlapPageof 6