Electronic Spectra and Ionization Potentials of Halogen Oxides Using the Fock Space Coupled-Cluster Method
| dc.contributor.author | Manohar, Prashant Uday | |
| dc.date.accessioned | 2021-11-11T10:57:22Z | |
| dc.date.available | 2021-11-11T10:57:22Z | |
| dc.date.issued | 2005 | |
| dc.description.abstract | The ionization potentials and excitation energies of halogen monoxides and dihalogen oxides are studied using fully size-extensive Fock space version of multi-reference coupled-cluster theory. The low-lying excited states of ClO-, FO-, Cl2O and F2O are obtained along with the ionization spectra of Cl2O and F2O. The adiabatic electron affinity of ClO, FO and the vertical detachment energy of ClO- and FO- are also presented. | en_US |
| dc.identifier.uri | http://cccc.uochb.cas.cz/70/7/0851/ | |
| dc.identifier.uri | http://dspace.bits-pilani.ac.in:8080/xmlui/handle/123456789/3334 | |
| dc.language.iso | en | en_US |
| dc.subject | Chemistry | en_US |
| dc.subject | Multireference coupled-cluster method | en_US |
| dc.subject | Ionization potentials | en_US |
| dc.subject | Halogen monoxides | en_US |
| dc.title | Electronic Spectra and Ionization Potentials of Halogen Oxides Using the Fock Space Coupled-Cluster Method | en_US |
| dc.type | Article | en_US |
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