| 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.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.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.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 |