Quantics is a general purpose suite of codes designed to solve the time-dependent Schrödinger equation for molecular systems. It is based around accurate grid-based calculations and implements the powerful multi-configurational time-dependent Hartree algorithm in a number of different flavours. It also allows Gaussian Wavepacket propagations based on the G-MCTDH and vMCG algorithms, including the direct dynamics formulation of DD-vMCG to calculate potential surfaces on-the-fly. Trajectory based simulations of the evolving wavepacket are also possible, including trajectory surface hopping for non-adiabatic systems.
Obtaining the Code
Quantics is hosted on the Gitlab development site. It is available on request. Please e-mail this completed form to Professor Graham Worth, g.a.worth@ucl.ac.uk. You will need a Gitlab account.
The older Heidelberg MCTDH package is still available on request. See the MCTDH Website for full details.