%0 Journal Article %J Collection of Czechoslovac Chemical Communications %D 2005 %T Electronic spectra and ionization potentials of halogen oxides using the fock space coupled-cluster method %A Vaval, N %A Manohar, Prashant Uday %A Pal, S %X

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.

%B Collection of Czechoslovac Chemical Communications %I INST ORGANIC CHEM AND BIOCHEM %C ACAD SCI CZECH REPUBLIC, FLEMINGOVO NAM 2, PRAGUE 6 166 10, CZECH REPUBLIC %V 70 %P 851-863 %8 JAN %G eng %N 7 %9 Article %3

Foreign

%4 2.997 %R 10.1135/cccc20050851