How to use VCHam - a program to calculate the vibronic coupling Hamiltonian.
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Updated
Jan 31, 2018
How to use VCHam - a program to calculate the vibronic coupling Hamiltonian.
Quantum dynamics engine for one- and two-dimensional systems
Science tools for quantum mechanics implemented mainly with PYTHON.
Website of the (Molecular) Quantum Dynamics Lab at Haverford College
Practical session for the Quantum Dynamics course of the "Atomistic and Multiscale Computational Modelling" Master Degree. Course 2022-2023.
Generate Kinetic Energy Operators (KEO) with curvilinear coordinates (z-matrix, polyspherical ...)
Matlab codes used to generate the figures in the paper 'Fermi's golden rule: its derivation and breakdown by an ideal model', Eur. J. Phys. 37 065406 (2016)
Fast and simple way to electronic structure methods.
Matlab codes used to generate the figures in the paper 'Nonsmooth and level-resolved dynamics illustrated with the tight binding model', arXiv:1404.4280
Matlab codes used to generate the figures in the paper 'Cusps in the quench dynamics of a Bloch state', EPL 114, 60001 (2016)
Code and data for our paper in JPCL "One-Shot Trajectory Learning of Open Quantum Systems Dynamics" https://doi.org/10.1021/acs.jpclett.2c01242
Matlab codes used to generate the figures in the paper 'Sudden jumps and plateaus in the quench dynamics of a Bloch state', EPL 116, 10008 (2016)
C++ code to compute electron trajectories in molecular orbitals using spin-dependent quantum hydrodynamics
Script for data generation and Code for our article "Predicting the future of excitation energy transfer in light-harvesting complex with artificial intelligence-based quantum dynamics"
Speeding up quantum dissipative dynamics of open systems with kernel methods
This module enables to use potentials extracted from the literature. It has the following features: * One or several degrees of freedom * One or several electronic states * For each electronic state, the energy, gradient and hessian can be obtained in the diabatic or adiabatic representations
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