Theoretical computation of normalised radii, density and global hardness as a function of orbital exponent
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Date
21 FebruarAuthor
Elik, MustafaChakraborty Tanmoy
Shalin, Chaudhary
Abhay, Chaudhary
Kumar, Rajak Sandip
Savaş, Kaya
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Chaudhary S., et al. (2021). Theoretical Computation of Normalised Radii, Density and Global Hardness as a Function of Orbital Exponent. J. Math. Chem. 59(4): p. 1014–1028.Abstract
The recent work has an aim to establish a pivotal role of orbital exponent in the
normalized atomic radii, atomic density and atomic hardness. These three periodic
descriptors help to understand the real scenario of an element. Concerning the effec-
tive nuclear charge, screening constant and effective principal quantum number, we
have developed a new relation between these periodic properties and invoked a new
formula by which we can compute the normalized radii, density and global atomic
hardness in terms of the orbital exponent. With comparison to the existing famous
formulae originating from different concepts, we can conclude that our empirical
computation has an inherent efficacy to predict periodicity.