%0 Journal Article
%T Symmetry of Gold Neutral Clusters Au3-20 and Normal Modes of Vibrations by using
the Numerical Finite Difference Method with Density-Functional Tight-Binding(DFTB) Approach
%J -
%D 2018
%R 10.21767/2572-4657.100017
%X The geometries and vibrational frequency of the most stable small AuN clusters   with N = 3 to 20 are presented through global structure re-optimization Study. The   finite-differentiation method has been implemented within the density-functional   tight-binding (DFTB) approach. The desired set of system eigenfrequencies (3N-6)   is obtained by a diagonalization of the symmetric positive semi definite Hessian   matrix. We have observed the vibrational modes between 0.55 and 370.72 cm-1   in wavenumbers at T=0 for the small gold clusters. The effect of the range of   interatomic forces was calculated, and even the very lower frequencies were   occupied in some clusters
%K Vishwanathan K
%K Gold Atomic Clusters
%K Density-Functional Tight-Binding (DFTB)
approach
%K Finite-Difference Method
%K Force Constants (FCs)
%K Normal Modes of
Vibrations
%U https://www.imedpub.com/abstract/symmetry-of-gold-neutral-clusters-au320-and-normal-modes-of-vibrations-by-usingrnthe-numerical-finite-difference-method-with-densityfunctional-tightbindingdftb-approach-21781.html