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The Journal of Chemical Physics|February 8, 2006
The limitations of Slater's element-dependent exchange functional from analytic density-functional theoryRajendra R Zope, Brett I DunlapJournal of Chemical Theory and Computation|December 4, 2015
Slater's Exchange Parameters α for Analytic and Variational Xα CalculationsRajendra R Zope, Brett I DunlapThe Journal of Chemical Physics|December 15, 2006
Dipole moments from atomic-number-dependent potentials in analytic density-functional theoryBrett I Dunlap, Shashi P Karna, Rajendra R ZopeThe Journal of Chemical Physics|July 24, 2010
Optical excitation energies, Stokes shift, and spin-splitting of C24H72Si14Rajendra R Zope, Tunna Baruah, Steven L Richardson, et al.The Journal of Chemical Physics|January 7, 2009
Variational, V-representable, and variable-occupation-number perturbation theoriesBrett I DunlapThe Journal of Chemical Physics|March 1, 2013
Effect of geometrical orientation on the charge-transfer energetics of supramolecular (tetraphenyl)-porphyrin∕C60 dyadsMarco Olguin, Rajendra R Zope, Tunna BaruahThe Journal of Chemical Physics|September 4, 2012
Charge transfer excitations in cofacial fullerene-porphyrin complexesRajendra R Zope, Marco Olguin, Tunna BaruahThe Journal of Chemical Physics|February 22, 2024
How well do one-electron self-interaction-correction methods perform for systems with fractional electrons?Rajendra R Zope, Yoh Yamamoto, Tunna BaruahThe Journal of Chemical Physics|February 8, 2023
Spin-state gaps and self-interaction-corrected density functional approximations: Octahedral Fe(II) complexes as case studySelim Romero, Tunna Baruah, Rajendra R ZopeThe Journal of Chemical Physics|September 4, 2012
Charge transfer excited state energies by perturbative delta self consistent field methodTunna Baruah, Marco Olguin, Rajendra R ZopePageof 6