title: Adiabatic potential energy surfaces for the low-energy collisional dynamics of C(+)((2)P) ions with H2 molecules.
abstract: The low-energy electronic states of the CH2(+) molecular ion are investigated with multireference configuration interaction calculations based on complete active space self-consistent field reference wave functions using a large C(6s5p4d3f)/H(8s6p3d1f) basis set. The focus is on the three lowest-lying states describing formation and destruction of the astrophysically relevant methylidine cation CH(+). Both processes are discussed in light of the topology of the relevant potential energy surfaces and their intersections.
authors: Dipartimento di Chimica, Università degli Studi di Milano , v. Golgi 19, 20133 Milano, Italy.
authors: Matteo
authors: M
authors: Bonfanti
authors: Gian Franco
authors: GF
authors: Tantardini
authors: Rocco
authors: R
authors: Martinazzo