The multireference coupled-cluster method with singles and doubles is applied to the vertical excitations of N2 at R=2.074 bohr. Both valence- and Rydberg-type excitations are calculated, using an appropriate basis and rather large model spaces. Thirty-five excitations below 15 eV are reported and classified. Sixteen energies could be compared with experiment, and the average error was 0.13 eV. Good ionization potentials are also obtained.
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Ben-Shlomo et al. (1990) studied this question.
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