11 citations · 28 across the 12 of their papers we have counts for
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On the Nature of Optical Excitations in Hydrogenated Aluminium Cluster Al4H6: A Theoretical Study
Sridhar Sahu, Alok Shukla
In this paper, we present a theoretical investigation of photoabsorption spectrum of the newly synthesized hydrogenated cluster of aluminium, Al4H6. The calculations are performed…
Theory of Linear Optical Absorption in B_12 Clusters: Role of the geometry
Sridhar Sahu, Alok Shukla
Boron clusters have been widely studied theoretically for their geometrical properties and electronic structure using a variety of methodologies. An important cluster of boron is t…
Probing Aromaticity of Borozene Through Optical and Dielectric Response: A Theoretical Study
Sridhar Sahu, Alok Shukla
In this work, we report electronic structure calculations aimed at computing the linear optical absorption spectrum, and static dipole polarizablity of a newly proposed boron-based…
Fortran 90 implementation of the Hartree-Fock approach within the CNDO/2 and INDO models
Sridhar Sahu, Alok Shukla
Despite the tremendous advances made by the ab initio theory of electronic structure of atoms and molecules, its applications are still not possible for very large systems. Therefo…