Effects of exchange-correlation functionals on the structure and the photoionization dynamics of Na40 versus Na92 cluster. Issue 10 (January 2020)

• Record Type: Journal Article
• Authors: Shaik, R; Varma, H R; Chakraborty, H S
• Is Part Of: Journal of physics. Volume 1412:Issue 10(2019)
• Publication Date: 2020-01
• Subjects: Physics -- Congresses; 530.5
• DOI: 10.1088/1742-6596/1412/10/102009
• Languages: English
• ISSNs: 1742-6588

Abstract

Synopsis: We study the photoionization properties of the Nan (n=40 and 92) clusters in a spherical jellium frame using the Kohn-Sham density functional method. Two well known form of exchange-correlation (xc) functional in the framework of local density approximation (LDA) with Gunnarsson-Lundqvist parametrization[1] are employed: i) the electron self-interaction correction (LDA-SIC) [1] and ii) the van Leeuwen and Baerends model potential (LDA-LB94) [1].