LBNL-AMO-MCTDHF is an open-source code for solving the time-dependent Schrödinger equation for atoms and molecules under heavy fire from intense laser pulses.
It is funded by the U.S. Department of Energy, mostly by the Early Career Program.
The multiconfiguration time-dependent Hartree-Fock method for interactions of molecules with strong ultrafast high-energy lasers DOE Early Career proposal in its entirety
LBNL-AMO-MCTDHF website
LBNL-AMO-MCTDHF GitHub organization page and open-source repositories
Become a user! To get access to the production code send us a message via the website.
You will be added to Team Users on the LBNL-AMO-MCTDHF GitHub organization.
Then you can see the
LBNL-AMO-MCTDHF production code GitHub repository and perform a git clone,
git clone https://github.com/LBNL-AMO-MCTDHF/V1 master
LBNL-AMO-MCTDHF information (25 Mb pdf) LBNL-AMO-MCTDHF manual
LBNL-AMO-MCTDHF bibliography:
Two methods for restricted configuration spaces within the multiconfiguration
time-dependent Hartree-Fock method
Ultrafast population transfer to excited valence levels of a molecule driven by x-ray pulses
Population transfer between valence states via autoionizing states using two-color
ultrafast π pulses in XUV and the limitations of adiabatic passage
Single photoionization of Be and HF using the multiconfiguration time-dependent
LBNL-AMO-MCTDHF uses several EXPOKIT routines to power the integration
of the nonlinear differential equations of MCTDHF.
LBNL-AMO-MCTDHF is both inspired by and guided by the open-source
implementation of MCTDH of H.-D. Meyer et al. at Heidelberg.
The 3rd cousin to MCTDH and MCTDHF is MCTDHB, developed by
Alon, Streltsov, Cederbaum and others, available with a modern cross-platform frontend MCTDHB-lab (Streltsov & Streltsova).
