Ab initio study of the spectroscopy and
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Jan M.L. Martin; Peter R. Taylor; J.P. FranΓ§ois; R. Gijbels
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Article
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1994
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Elsevier Science
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English
β 695 KB
Several structures and electronic states of the C2N and CN2 molecules have been studied using complete active space SCF (CASSCF), multireference configuration interaction (MRCI ), and coupled cluster (CCSD( T) ) methods. Both molecules are very stable. Our best computed total atomization energies 10