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 master

LBNL-AMO-MCTDHF information (25 Mb pdf)      LBNL-AMO-MCTDHF manual

LBNL-AMO-MCTDHF bibliography:

Qualitative failure of a multiconfiguration method in prolate spheroidal coordinates in calculating dissociative photoionization of H2+

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

Hartree-Fock method

Multiconfiguration time-dependent Hartree-Fock treatment of electronic and nuclear dynamics in molecules

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).