Extended basis first-order CI study of the 1A′, 3A″, 1A″, and B 1A′ potential energy surfaces of the O(3P,1D)+H2(1Σg+) reaction

Potential energy surfaces for the 1A′, 3A″, 1A″, and B̃1A′ states of the O(3P,1D)+H2(1Σg+) reaction are computed using a first order configuration interaction (FO–CI) wave function, an extended contracted Gaussian basis set, and iteration over natural orbitals (INO). As judged by the well depth, ver... View More