/mctdh_cp2021

The MCTDH Package: Quantum dynamics.

Primary LanguageRaku

Final proyect repository

(M)ulti (C)onfiguration (T)ime (D)ependent (H)artree

MCTDH is a general algorithm to solve the time-dependent Schrödinger equation for multidimensional dynamical systems consisting of distinguishable particles.

MCTDH can thus determine the quantal motion of the nuclei of a molecular system evolving on one or several coupled electronic potential energy surfaces.

MCTDH by its very nature is an approximate method. However, it can be made as accurate as any competing method, but its numerical efficiency deteriorates with growing accuracy.

Goal

I have created this repository to make a final proyect of the postgraduate course called Parallel Computation from Faculty of Mathematic, Astronomy, Physics and Computation (FaMAF) of National University of Córdoba (UNC).

Repository contents

  • DVR folder

    • Here we used Sine DVR and Lapack to represent and diagonalize different Hamiltonian operators.

  • test_oscillator folder

    • Here we used MCTDH package to study Harmonic Oscillator with/without interaction potential.

  • double_quantum_dot_model folder

    • Here we used MCTDH package and Sine DVR program to analyse the double quantum dot model.

  • COMMANDS_MCTDH.md

    • Here we can found some commands, instructions and notes related to MCTDH program.

Useful links