Tutorials and Examples

This assumes you already have ampsci compiled.

• See Getting Started for compilation instructions
• Besides the tutorials, there are several example input files (with the expected output) in doc/examples/ - also try running those

Tutorials

• Basic Tutorial - Basic tutorial for using ampsci, including examples.
• Atomic Potentials - Atomic Potentials: Hartree-Fock, Nuclear, Breit and QED.
• MBPT and Correlations - MBPT and correlation corrections.
• Matrix Elements - Calculate matrix elements of various operators.
• Two-valence atoms: CI+MBPT - CI+MBPT calculations for two-valence atoms.
• Exotic atoms - Calculations for exotic atoms (e.g., muonic)
• JSON output and scripting - JSON output and scripting with ampsci.
• HPC / SLURM - Tips for running ampsci on HPC systems using SLURM.