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A fresh computational approach to atomic structures, processes and cascades
- Source :
- Computer Physics Communications. 240:1-14
- Publication Year :
- 2019
- Publisher :
- Elsevier BV, 2019.
-
Abstract
- Electronic structure computations of atoms and ions have a long tradition in physics with applications in basic research, spectroscopy, life sciences and technology. Various theoretical methods (and codes) have therefore been developed to account for the many-particle structure of atoms, from simple semi-empirical estimates to accurate predictions of selected data, and up to highly advanced time-independent and time-dependent numerical techniques. — Here, I present a fresh concept and implementation of (relativistic) atomic structure theory that supports the computation of interaction amplitudes, properties as well as a large number of excitation and decay processes for open-shell atoms and ions across the whole periodic table. This implementation will facilitate also studies on atomic cascades, responses as well as the time-evolution of atoms and ions. It is based on Julia, a new programming language for scientific computing, and provides an easy-to-use but powerful platform to extent atomic theory towards new applications.
- Subjects :
- Physics
Periodic table (large cells)
Computation
Structure (category theory)
General Physics and Astronomy
Electronic structure
01 natural sciences
010305 fluids & plasmas
Hardware and Architecture
Atomic theory
Simple (abstract algebra)
0103 physical sciences
Statistical physics
010306 general physics
Spectroscopy
Excitation
Subjects
Details
- ISSN :
- 00104655
- Volume :
- 240
- Database :
- OpenAIRE
- Journal :
- Computer Physics Communications
- Accession number :
- edsair.doi...........b7fc76b91ed37f9d7163c89990883e80