Title Development of biorthogonal orbital method and its application in atomic physics /
Translation of Title Biortogonalių orbitalių metodo plėtojimas ir taikymas atomo teorijoje.
Authors Rynkun, Pavel
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Pages 108
Keywords [eng] Multiconfiguration Hartree-Fock (MCHF) approach ; multiconfiguration Dirac-Hartree-Fock (MCDHF) approach ; relativistic configuration interaction (RCI) ; biorthogonal orbital method ; Partitioned Correlation Function Interaction (PCFI) approach
Abstract [eng] The main goals of the study are: to develop the biorthogonal orbital method for calculation of energies and other important atomic data; to obtain more accurate atomic data (energy levels, transition rates, and lifetimes) using ab initio method. The doctoral dissertation consists of six chapters. Chapter 1 introduces the main goals, main tasks of the study and statements presented for defence. Chapter 2 is designed to describe theoretical methods that were used in the thesis. There is also an account of the newly developed PCFI method based on biorthogonal transformations and the modifications in spin-angular part that were needed. The other three chapters are devoted to presenting the results obtained in the dissertation. Each of them has a scientific review of the research and importance. Also the results obtained in this work are compared with other authors’ theoretical and experimental data. Chapter 3 presents the calculation of spectroscopic data of boron, carbon, nitrogen and oxygen isoelectronic sequences. Chapter 4 presents the results of the W(24+) calculations: energy spectra structure, the strongest electric dipole transitions, and the lifetimes. In Chapter 5 applications of PCFI approach are presented for lithium and boron. For neutral boron the 2Po and 4P transition energy was calculated using MCHF and PCFI methods. Chapter 6 presents the conclusions of the study.
Type Doctoral thesis
Language English
Publication date 2014