The Effect Of External Electric Field Of Excited States For Plutonium Compounds And Potential Function Of Excited States For Diatomic Molecules

The compatibility of the different material in nuke is related to the stabilization and the permanence of its, it is still pivotal problem. Pu is an important material in the weapon and energy material, but it is difficult for its stockpile for its radiation and activity. It have take great attention to investigate its surface physic and chemic property. The disintergration of Pu is a reason for the corrosion and the aging. The external electronic field and inner radiation will affect the product of Pu and He gas ball.The effects of external electronic field on the Pu molecule structure and excited states were calculated based on several Pu molecule structure in this paper. The elements of actinium series are calculated using the theory of effective core potential (ECP) or relativistic effective core potential (RECP) for their property determined by price electron, and it is impossible for all electronic using ECP theory. The grand states of PuH2, PuH, PuO, PuO₂ and PuOH under external electronic field range over -0.005-0.005 a.u. are optimized using density function theory DFT/B3LYP with SDD or RECP(Pu), 6-311++G**(H), 6-311+G*(O) level, while the price electronic (5s² 5p⁶ 5d¹⁰ 6s² 6p⁶ 5f⁶ 7s²) are calculated but not internal electron.The excited states, oscillator strengths, total energy and spin pollution under the same external electronic field are calculated employing time-dependent density function theory (TDDFT) at the same level. The results indicate that the spectra of excited electron of PuH₂, PuH, PuO, PuO₂ and PuOH are in the region of visible-infrared-far infrared for that the...