Atomic, Molecular, and Optical Science Gateway
The AMOS Gateway hosts state-of-the-art atomic, molecular, and optical science (AMOS) software suites and provides the community with an easy-to-use platform for calculations involving the static and dynamic properties of multi electron atoms and molecules.
Codes are available for computing spectra, lifetimes and transition rates between bound states, cross sections for electron scattering, photoionization and solutions of the time-dependent Schrödinger equation in the presence of strong and ultrafast electromagnetic fields. While use of the gateway is free, you must create an account.
Featured Codes:
- BSR - B spline R-matrix
- CCC - Convergent Close Coupling
- DBSR HF - B-spline Dirac-Hartree-Fock Program
- ePolyScat - MESA
- GRASP - General Relativistic Atomic Structure Package
- RMT - R-Matrix with time
- SPHF - Spline Hartree-Fock Program
- tRecX - time-dependent Recursive indeXing
- UKRmol+ - UK Molecular R-matrix
- Xchem
Calculations performed using the gateway will be archived here. Links to other useful data bases are also posted.
Code Overview and DocumentationGateway Workshops
NIST AMOP Gateway WorkShop Dec 11-13 2019 Agenda (with links to slides)
Harvard Workshop May 14-16, 2018
EventsTopics of Interest
Attosecond Chemistry COST Action February 2021 virtual workshop YouTube link | Schedule, invited speakers, etc.
Resources