Configuration Interaction Studies of the Excited States of Water.
AEROSPACE CORP EL SEGUNDO CALIF LAB OPERATIONS
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The results of extensive configuration interaction studies of 16 excited states of water are reported. These states can be accurately described as corresponding to excitation from one of the highest two molecular orbitals 1b1 or 3a1 of the ground state into either the 3s or one of the three 3p Rydberg orbitals. The results provide the most accurate and consistent treatment of these states of date within 0.1 eV for all known transitions form a reliable basis for the assignment of the photon and electron impact spectra of H2O.
- Atomic and Molecular Physics and Spectroscopy