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LBNL-AMO-MCTDHF is a suite of codes for Multiconfiguration Time-Dependent Hartree-Fock applied to ultrafast laser dynamics of atoms and molecules. It calculates nonadiabatic electronic and nuclear wave functions for the nonrelativistic Schrödinger equation. Currently it uses the dipole approximation in length and velocity gauge and has options for a variety of laser pulses. It contains analysis and output routines and auxiliary scripts for calculating absorption and stimulated emission, populations, total and partial photoionization, wave mixing, and other capabilities. It supports

• Electronic wave functions for atoms (chmctdhf_atom)

• Vibronic wave functions for diatoms using prolate spheroidal coordinates (chmctdhf_diatom)

• Electronic wave functions for polyatomics with fixed nuclei (chmctdhf_sinc)

Introduction to LBNL-AMO-MCTDHF & bibliography



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