Electric properties of molecules using stationary coupled-cluster method

Issue title: Computational aspects of electric polarizability calculations: Atoms, Molecules and clusters Part II

Article type: Research Article

Authors: Pal, Sourav^{; *} | Vaval, Nayana

Affiliations: National Chemical Laboratory, Physical Chemistry Division, Pune 411008, India

Correspondence: [*] Corresponding author. E-mail: pal@ems.ncl.res.in.

Abstract: In this review, we record recent developments of coupled-cluster methods for molecular electric properties. We focus on the stationary coupled-cluster response method and various coupled-cluster functionals. We note the important properties of extended coupled-cluster functional and recent interest in this. Recent results of properties using the above approach are reported to emphasize the point.

Keywords: Molecular properties, coupled cluster method, stationary response approach

DOI: 10.3233/JCM-2004-4412

Journal: Journal of Computational Methods in Sciences and Engineering, vol. 4, no. 4, pp. 721-736, 2004