Please use this identifier to cite or link to this item: http://hdl.handle.net/2248/3412
Title: Comparative studies using coupled-cluster and unitary coupled-cluster methods: nuclear quadrupole moment, hyperfine constants and transition properties of 27Al
Authors: Sur, C
Chaudhuri, R. K
Das, B. P
Mukherjee, D
Keywords: Magnetic Dipole;Electric Quadrupole Hyperfine;Relativistic Coupled Cluster;Unitary Coupled Cluster (UCC) Methods;Ionization Potentials;Oscillator Strengths;Nuclear Quadrupole Moment
Issue Date: Dec-2005
Publisher: Institute of Physics
Citation: Journal of Physics B: Atomic, Molecular, and Optical Physics, Vol. 38, No. 23, pp. 4185 - 4194
Abstract: The magnetic dipole and electric quadrupole hyperfine constants of Aluminium (27/supAl) atom are computed using the relativistic coupled cluster (CC) and unitary coupled cluster (UCC) methods. Effects of electron correlations are investigated using different levels of CC approximations and truncation schemes. The ionization potentials, excitation energies, transition probabilities, oscillator strengths and nuclear quadrupole moment are computed to assess the accuracy of these schemes. The nuclear quadrupole moment obtained from the present CC and UCC calculations in the singles and doubles approximations are 142.5 mbarn and 141.5 mbarn, respectively. The discrepancies between our calculated IPs and EEs and their measured values are better than 0.3%. The other one-electron properties reported here are also in excellent agreement with the measurements.
Description: Restricted Access
URI: http://hdl.handle.net/2248/3412
ISSN: 0953-4075
???metadata.dc.relation.uri???: http://dx.doi.org/10.1088/0953-4075/38/23/002
Appears in Collections:IIAP Publications

Files in This Item:
File Description SizeFormat 
Comparative studies using coupled-cluster and unitaryRestricted Access152.68 kBAdobe PDFView/Open    Request a copy


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.