Sajeev, Y. ; Mishra, Manoj K. ; Vaval, Nayana ; Pal, Sourav (2004) Fock space multireference coupled cluster calculations based on an underlying bivariational self-consistent field on auger and shape resonances Journal of Chemical Physics, 120 (1). pp. 67-72. ISSN 0021-9606
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Official URL: http://jcp.aip.org/resource/1/jcpsa6/v120/i1/p67_s...
Related URL: http://dx.doi.org/10.1063/1.1630025
Abstract
The Fock space multireference coupled cluster based on an underlying bivariational self-consistent field is applied to the problem of computing complex energy associated with Auger and shape resonances in e-atom scattering. It is concluded that the Fock space multireference coupled cluster based on a bivariational self-consistent field provides a useful and practical approach to calculation of resonance parameters. Numerical results are presented for the 2P shape resonance of Mg and Auger 1 s-1 hole of Be.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Institute of Physics. |
| ID Code: | 20163 |
| Deposited On: | 20 Nov 2010 14:55 |
| Last Modified: | 08 Jun 2011 04:34 |
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