R
Rajendra R. Zope
Researcher at University of Texas at El Paso
Publications - 128
Citations - 2737
Rajendra R. Zope is an academic researcher from University of Texas at El Paso. The author has contributed to research in topics: Density functional theory & Dipole. The author has an hindex of 26, co-authored 120 publications receiving 2319 citations. Previous affiliations of Rajendra R. Zope include United States Naval Research Laboratory & George Washington University.
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Momentum-space properties from coordinate-space electron density.
TL;DR: In this article, a constrained search formulation of density functional theory is used to derive the Compton profiles and the expectation values derived from given coordinate-space electron densities for closed-shell atomic systems He, Be, and Ne in their ground state and for 1s12s1 singlet electronic excited state for helium.
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Positron binding: A positron-density viewpoint.
TL;DR: It is demonstrated further that within a density-functional approach, decent estimates to the positron affinity for negative ions can be obtained by invoking the Slater transition state concept.
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Calcium coated B80 fullerene: A study on various coating configurations of B80
TL;DR: In this article, the adsorption of calcium atoms on the surface of novel boron fullerenes and the α -boron sheet using an all electron density functional method within the generalized gradient approximation was investigated.
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Geometry and electronic structure of neutral and charged B21 clusters
TL;DR: In this paper, the authors used random searches, basin hopping and simulated annealing techniques to obtain low energy isomers of the B 21 cluster for the neutral as well as singly positively and negatively charged states.
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Stretched or noded orbital densities and self-interaction correction in density functional theory
Chandra Shahi,Puskar Bhattarai,Kamal Wagle,Biswajit Santra,Sebastian Schwalbe,Torsten Hahn,Jens Kortus,Koblar A. Jackson,Juan E. Peralta,Kai Trepte,Susi Lehtola,Niraj K. Nepal,Hemanadhan Myneni,Bimal Neupane,Santosh Adhikari,Adrienn Ruzsinszky,Yoh Yamamoto,Tunna Baruah,Rajendra R. Zope,John P. Perdew +19 more
TL;DR: PZ SIC is applied here, in particular, to the strongly constrained and appropriately normed (SCAN) meta-GGA, for which the correlation part is already self-interaction-free, which makes SCAN a natural first candidate for a generalized SIC.