摘要
本文利用多重散射方法研究了分子的近阈结构,阐明了:1)激发电子与分子离子实的相互作用动力学特征;2)势形共振的物理起源。并与实验比较,标识了NO_2内壳层激发的实验谱。
Excited molecular structure in gas phase usually consists of two types of energy states: Rydberg states with diffused molecular orbitals and valencetype excited states with rather localized molecular orbitals. Excitation from molecular inner-shell orbitals into the above-men-rioned excited orbitals leads to near-threshold structures. Based on the multiple-scattering self-consistent field theory, we have studied the molecular near-threshold structure. Our theoretical results are in good agreement with experimental measurements. We have also elucidated:
(1) The dynaimcal interaction between the excited electron with the residual molecular ion.
(2) Physical orgin of the shaperesonance, namely, as an anti-bonding state embedded in the continuum.
出处
《物理学报》
SCIE
EI
CAS
CSCD
北大核心
1989年第12期1951-1957,共7页
Acta Physica Sinica
基金
国家自然科学基金
中国科学院院长基金
