Numerical Hartree-Fock and coupled-cluster (CCSD) predictions of the existence of excited states of dipole bound anions are reported for NaF, LiCl, and NaCl. The calculations use a composite numerical and Slater orbital basis set. The second dipole states are found to be bound by 0.012, 0.009, and 0.021 eV for NaF, LiCl, and NaCl, respectively, and should be amenable to experimental observation.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry