Open AccessELECTRONIC STRUCTURE OF MOLECULAR RYDBERG STATES OF DIATOMIC MOLECULES WITH Si AS THEIR UNITED ATOM
Author(s) -
Sun Biao,
Jiaming Li
Publication year - 1992
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.41.873
Subject(s) - rydberg formula , diatomic molecule , excited state , atomic physics , electronic structure , physics , principal quantum number , series (stratigraphy) , quantum defect , atom (system on chip) , molecule , field (mathematics) , quantum , quantum mechanics , ionization , ion , paleontology , computer science , embedded system , quantum dissipation , biology , mathematics , pure mathematics
Based on the independent-particle-approximation (i.e. the multiple scattering self-consistent-field theory), we studied the electronic structures of Rydberg series of the diatomic molecules with Si as their united atom, such as N2, CO, BF, A1H, LiNa, "BeNe" and "MgHe". The principal quantum number of the first state of the Rydberg series is determined from the limit atom of the molecular elecronic configuration. The dynamics of the excited molecules has been elucidated. Our theoretical results prove to be in fair agreement with the existing experimental measurements, thus it can provide a reliable basis for future refined calculations such as the configuation interaction methods.