Formation of HeH+ by radiative association of He+ + H. An advanced ab initio study

摘要: Abstract Rate coefficients of all possible radiative association reactions for He + H are calculated over a wide temperature range. For this purpose the potential energy and electric dipole moment functions X 1 σ ground electronic first excited 3 A states HeH determined at configuration interaction level theory transition function between two Σ is evaluated using state method Malmqvist Roos. From functions, rotation-vibrational bound rotationally quasi-bound obtained each state. Whereas formation in collisions have small rates, most efficient process leads to The dependence corresponding rate coefficient shows typical behavior with maximum 6 × 10 −15 cm s −1 around K monotonic decrease increasing temperature. Accurate derived from previous directly correlated wavefunctions used assess reliability calculations.