Sur, Chiranjib ; Chaudhuri, Rajat K. ; Das, B. P. ; Mukherjee, D. (2005) Comparative studies using coupled cluster and unitary coupled-cluster methods: nuclear quadrupole moment, hyperfine constants and transition properties of 27Al Journal of Physics B: Atomic, Molecular and Optical Physics, 38 (23). pp. 4185-4194. ISSN 0953-4075
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Official URL: http://iopscience.iop.org/0953-4075/38/23/002
Related URL: http://dx.doi.org/10.1088/0953-4075/38/23/002
Abstract
The magnetic dipole and electric quadrupole hyperfine constants of Aluminium (27Al) 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.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Institute of Physics Publishing. |
| ID Code: | 21852 |
| Deposited On: | 23 Nov 2010 13:06 |
| Last Modified: | 08 Jun 2011 05:19 |
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