Effective Potentials in Molecular Collisions

摘要: Procedures are developed for obtaining effective potentials Veff between two linear molecules. The potential couples the internal rotational states of molecules, regardless spatial effects associated with projection quantum numbers M. Since just is not sufficient treating dynamics, an Hamiltonian Heff = H0eff + obtained from original H H0 V, where describes unperturbed motion A consistent procedure presented finding both operators and Veff, matrix elements operator Qeff written as 〈 J1J2  |  Qeff  J1′J2′ 〉. |  J1J2〉 orthonormal eigenstates portion same level spacings H0. shown to have form a radial function times state coupling matrix, or in general sum such terms. close‐coupled equations Heff, it de...