Electronic Spectra and Ionization Potentials of Halogen Oxides Using the Fock Space Coupled-Cluster Method

Please use this identifier to cite or link to this item: http://dspace.bits-pilani.ac.in:8080/jspui/xmlui/handle/123456789/3334

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DC Field	Value	Language
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
Appears in Collections:	Department of Chemistry

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