Atomic and Molecular Physics Gateway

The AMP gateway hosts state-of-the-art AMP 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 cross sections for electron scattering, photoionization and solutions of the time-dependent Schrödinger equation in the presence of strong and ultrafast electromagnetic fields. In order to use the codes, you must create an account. See the upper right Create Account. Use of the portal is free of charge.

Current Capabilities include:

The overarching goal of the project is create a comprehensive cyberinfrastructure for the atomic and molecular physics (AMP) community where practitioners can access a synergistic, full-scope platform for computational AMP. Importantly, using the gateway does not require the user to download and build these codes on their own platform, which is often difficult, especially for non-experts.

The gateway allows users to deploy calculations on a number of NSF computational systems. The user submits appropriate data files to the gateway interfaces, and results are returned on the gateway. Data may then be analyzed in-situ or downloaded to a another platform for more detailed inspection.

The scientists involved in this project have been active researchers in computational atomic and molecular physics for many years and have benefited from support from the NSF XSEDE project.

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H_2 Cation Exposed to a Short-Pulse, Intense Electromagnetic Field

The animation describes what happens when the H_2 molecular cation is exposed to short-pulse, intense laser radiation polarized perpendicular to the internuclear axis. In the cation the two protons act as slits, due to the fact that the probability for the absorption of x-ray light is highest when the electron is close to one of the two protons. Thus the nuclei behave quite similar to the classic Young's double slit experiment. Interference arises as a consequence of the fact that it is impossible to tell from which proton the photoabsorption took place. Quantum mechanics tells us that the amplitudes of the wave function coming from the left and right proton must be coherently added up, with the cross term providing the observed interference.