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cond-mat.mtrl-sci2013★ 34 cited
High Pressure Study of Lithium Azide from Density-Functional Calculations
K. Ramesh Babu, Ch. Bheema Lingam, Surya P. Tewari +1
The structural, electronic, optical and vibrational properties of LiN under high pressure have been studied using plane wave pseudopotentials within the generalized gradient ap…
cond-mat.mtrl-sci2011
Quantum chemical studies on beryllium hydride oligomers
Ch. Bheema Lingam, K. Ramesh Babu, Surya P. Tewari +1
The present study explores electronic and structural properties, ionization potential (IP), electron affinity (EA), polarizability (α), chemical potential (μ), hardness (η), softne…