Vaval, Nayana ; Pal, Sourav (1999) Adiabatic states of ozone using Fock space multireference coupled cluster method Journal of Chemical Physics, 111 (9). pp. 4051-4055. ISSN 0021-9606
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Official URL: http://link.aip.org/link/JCPSA6/v111/i9/p4051/s1
Related URL: http://dx.doi.org/10.1063/1.479706
Abstract
In this paper we present the Fock space multireference coupled cluster theory suitable for calculation of low-lying adiabatically excited or electron attached states. Low-lying adiabatic as well as vertical excited states of ozone are calculated using this theory in singles and doubles approximation. The calculated adiabatic excitation energies are compared with the experimental values. We also report the adiabatic electron affinity value of ozone.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Institute of Physics. |
| ID Code: | 25896 |
| Deposited On: | 04 Dec 2010 11:04 |
| Last Modified: | 05 Mar 2011 05:45 |
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