Research in Atomic Structure - Fraga, S.

. .

Résumé :
This work offers the first comprehensive formulation for the prediction of the energy levels of many-electron atomic systems within the framework of a configuration interaction treatment, with consideration of the most important relativistic corrections as well as the interaction with external electric and magnetic fields. The formulation is developedusing tensor-algebra techniques, which are discussed in detail and illustrated in the transformation of operators to tensor form and the formulation of the corresponding matrix elements. In addition to its didactic value, this work has practical applications. The reader will be able to proceed to the study, both theoretical and computational, of additional corrections. The discussion of computational details (on the selection of configurations and the determination of the radial functions) and of representative calculations illustrates both the practicaldifficulties and the quality of the results.

Sommaire:
Theoretical Foundation.- 1 Hamiltonian Operator and Eigenvalue Equations.- Basic Theoretical Formulation.- 2 Angular Functions: Coupling of Angular Momenta.- 3 Tensor-Operator Formulation.- Application of the Basic Formulation.- 4 Transformation of Operators to Tensor Form.- 5 Matrix Elements.- 6 Summary of Theoretical Results.- Implementation.- 7 Practical Details.- 8 Numerical Examples.- References.- Reference texts.- Data sources.- Units and Constants.- Constants.- Units.- Notation and Symbols.