Abstract
Results of theoretical research on the ground and excited states of the platinum atom, its Pt− anion, and Pt+ cation are presented. Calculations were carried out using the four-component multi-configuration Dirac-Hartree-Fock method with the spin-free relativistic eight-order Douglas-Kroll-Hess method, and the infinite order two-component method at high correlated level. The spin-orbit (SO) coupling is introduced via the restricted active space state interaction method with the use of the atomic mean field SO integrals. The results are interpreted in comparison with the experimental data. The theoretical analysis suggests different assignments and interpretations of some atomic and ionic states, and existence of three anionic bound states. The obtained electron affinity to Pt−5d96s22D5/2 ground state is 2.104 eV (experimental value is 2.125 eV) which can be considered as very accurate result. The photodetachment Pt−1 to Pt0 spectra is provided. A comparative analysis of the accuracy of two-component methods is also presented.
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More From: Journal of Quantitative Spectroscopy and Radiative Transfer
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