Spin–orbit interactions, new spectral data, and deperturbation of the coupled b 3∏u and A 1∑u+ states of K2
作者： M. R. Manaa , A. J. Ross , F. Martin , P. Crozet , A. M. Lyyra
DOI: 10.1063/1.1522716
关键词: Atomic physics 、 Matrix algebra 、 Spectral data 、 Hamiltonian (quantum mechanics) 、 Ab initio quantum chemistry methods 、 Quantum mechanics 、 Spectral line 、 Physics 、 Discrete variable 、 Perturbation (astronomy)
摘要: We report calculations of the spin–orbit energy as a function internuclear distance R within b 3∏u state K2, and between b 3∏0u A 1∑u+ states, together with new spectroscopic data on b previously unpublished A state. Both previous are fitted to Hamiltonian parameters using discrete variable representation (DVR) method. The DVR matrix includes nonrelativistic Born–Oppenheimer potentials interactions, which scaled match known asymptotic limits best fit experimental data. Dunham coefficients that yield by means Rydberg–Klein–Rees These thus take into account second-order perturbation shifts (from vibrational levels these two states) normally not considered in band-by-band fits
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