Configuration interaction oscillator strengths of the H2O molecule: Transitions from the ground to the B∼1A1,C∼1B1,D∼1A1, and 11B2 excited states

The vertical optical oscillator strength (OOS) at the length (fL) and velocity (fV) forms for the {B∼1A1,C∼1B1,D∼1A1,11B2}←X∼1A1 transitions of H2O were computed employing complete active space self consistent field followed by multireference configuration interaction (CAS/MR-CI) wave functions and d-aug-cc-pVXZ (X = D, T, Q, 5) Gaussian basis sets. The computed OOS values at the highest level, namely, CAS-MRCI/d-aug-cc-pV5Z, were (fL value, fV value): B∼1A1 (0.05494, 0.05993), C∼1B1 (0.008700, 0.009634), D∼1A1 (0.04695, 0.04880) and 11B2 (0.01740, 0.01905). These results are compared with previous theoretical and experimental values, with the latter when possible.