Relaxed electric dipole moments of polar molecules interacting with a slow positron: H2O and CH3X (X=F, Cl, Br)

摘要: The variation in the electric dipole moments of H2O, CH3F, CH3Cl and CH3Br as their geometries relax due to interaction with a positron is evaluated. results are good agreement recently observed empirical dependence binding energy on molecular properties (Danielson et al 2009 J. Phys. B: At. Mol. Opt. 42 235203). For energies larger than 100 meV relaxation could alter significantly analysis binding, but it prospect generating effective potentials for scattering by molecules that effect can be more important.