Electronic Spectra and Ionization Potentials of Halogen Oxides Using the Fock Space Coupled-Cluster Method
2005 ◽
Vol 70
(7)
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pp. 851-863
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Keyword(s):
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.
2005 ◽
Vol 70
(6)
◽
pp. 811-825
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1989 ◽
Vol 90
(6)
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pp. 3214-3220
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Keyword(s):
2005 ◽
Vol 122
(22)
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pp. 224110
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Keyword(s):
Keyword(s):
2001 ◽
Vol 115
(15)
◽
pp. 6862-6865
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Keyword(s):
Intermediate Hamiltonian Fock-space coupled-cluster method: Excitation energies of barium and radium
2000 ◽
Vol 113
(22)
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pp. 9905-9910
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Keyword(s):
2004 ◽
Vol 121
(4)
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pp. 1670-1675
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Keyword(s):
1987 ◽
Vol 87
(1)
◽
pp. 467-471
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Keyword(s):
2008 ◽
Vol 129
(4)
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pp. 044101
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Keyword(s):
2019 ◽
Vol 151
(18)
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pp. 184102
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Keyword(s):