Introduction
The tutorials presented here aim at allowing users to gain familiarity with the Generalized Sturmian Library by working through calculations of the spectral properties and electronic structure of atoms and atomic ions. They function both as documents and as programs. Blocks of code in the Mathematica notebooks are interspersed with discussion, and the programs are run by evaluating each block of code in sequence. Since the reader is working in the Mathematica environment, the usual mathematica commands can be used interactively to elaborate the results, or to change the programs or examples.
The tutorials are based on chapters from our book, Generalized Sturmians and Atomic Spectra. They allow the reader to follow the calculations used in the book in detail, and to reconstruct the results. Because the tutorials refer to chapters in our book, the best understanding can be gained by having the chapter in question open when working with them.
The reader is strongly urged to modify and improve the programs and to apply them to new problems.
Requirements
In order to use these tutorials, one needs to have the Generalized Sturmian Library, compiled with the Mathematica-extension, installed and working on one's system. A recent version of Mathematica is also required.
Available Tutorials
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- Calculations based on Chapter 3, part 1: Goscinskian Basis Sets
Mathematica notebook, PDF document. - Calculations based on Chapter 3, Part 2: The Large-Z Approximation and Symmetry Adapted Sturmian Bases
Mathematica notebook, PDF document. - Calculations based on Chapter 5, part 1: Core Ionization
Mathematica notebook, PDF document. - Calculations based on Chapter 5, part 2: Radial Distributions
Mathematica notebook, PDF document.