• Refine Query
  • Source
  • Publication year
  • to
  • Language
  • 1
  • Tagged with
  • 1
  • 1
  • 1
  • 1
  • 1
  • 1
  • 1
  • 1
  • 1
  • 1
  • 1
  • 1
  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
1

Koreliaciniai efektai Fe X jonui / Correlation effects for Fe X

Glodenienė, Marina 16 August 2007 (has links)
Magistriniame darbe yra nagrinėjami FeX elemente esantys koreliaciniai efektai. Tuo tikslu šiam elementui buvo išskirtos koreliacinės grupės, atsižvelgiant į tai kokio tipo sužadinimai imami konstruojant atominės būsenos funkciją. Teoriniai nagrinėjimai buvo atliekami naudojantis GRASP2K programą ir Bendrosios fizikos katedros klasterį. Iš gautų darbe rezultatų buvo nustatyta, kad svarbią įtaką Fe X elemento charakteristikoms turi valentinės-valentinės ir kamieno-valentinės koreliacijos. Tuo tarpu kito tipo koreliacijos yra antraeilės. Atsižvelgiant į tai, magistriniame darbe yra sukurta Fe X ir į jį panašių jonų skaičiavimo strategija. Ji suteikia galimybę žymiai pagerinti teorinių skaičiavimų tikslumą ir supaprastinti skaičiavimus. / Iron is one of the most abundant heavy elements in the Universe. The spectra of multiply charged Fe ions have been observed in a number of different astronomical objects. Therefore the very accurate properties of these ions are important in atomic physics and astrophysics. This is a study of the low-lying levels of the 3s23p5, 3s3p6 and 3s23p43d configurations for Fe X. The aim is not only to calculate the excitation energies to higher accuracy but also to investigate the value of different types of correlation effects (valence, valence-valence and core-valence excitations). We use the multiconfiguration Dirac-Fock and configuration interaction approaches based on the GRASP2K package [1]. The results are compared with the experimental [2, 3] data and with the other theoretical [4] calculations. In the following calculations, the configuration space is increased group by group with increasing layer number. The orbitals of previous layers are held fixed and only the new layer orbital are allowed to vary. With this approach, one cannot only observe the convergence of the excitation energies for the low-lying levels of the 3s23p5, 3s3p6 and 3s23p43d configurations for Fe X, but one can also identify the most important correlation groups, study convergence within similar groups and limit the self-consistent procedure to the most significant correlations.

Page generated in 0.0845 seconds