【摘要】 将多重散射自洽场方法和多通道量子数亏损理论结合,计算出分子的相互作用自洽势,对分子丰富的高激发态以及相应的连续态——分子的电离通道进行计算和分析,并给出了H₂,NO等分子的计算例子。更多还原

【Abstract】 Molecular Rydberg states and their adjoint continuum can be described in an unified manner by a compact set of slightly energy-dependent parameters in quantum defect theory. Here, we present a multiple-scattering method to calculate these physical parameters. As illustrative examples, calculations for H₂ and NO are carried out.更多还原