Overview

Teaching: min
Exercises: min

Questions

Objectives

1. Day info

• July 10, 2024, Wednesday
• Where: Natural Sciences Complex 220
• Instructors: Sophya Garashchuk, Daeho Han, Alexey Akimov

2. QTAG and XF methods for Model Hamiltonians, VISTA

2.1. Quantum Trajectories with Adaptive Gaussians (QTAG). Lecture (40 min) + Demo (30 min) + Hands on (30 min)

Slides

Links:

Demo is after VISTA

Hands on after lunch break

• Complete the tutorial: 5_qtag_1_basics

• Tasks:

  • there are plenty exercises suggested in this tutorial - complete some of themy

  • compute the QTAG dynamics for your custom potential - compare to TSH and exact calculations

    Note: the QTAG is best performing for bound potentials or for relatively short time, where the wavepacket has not branched too much.

2.2. VISTA

Check out VISTA webise

2.3. Exact factorization (XF) theories and independent-trajectory XF methods. Lecture. (60 min)

Slides

2.4. XF methods: SHXF, MQCXF, MFXF dynamics on model systems. Demo and Hands on (90 min)

Slides

Links:

• Complete the tutorial: 11_model_xf

• Tasks:

  • run the XF calculations for your potential using different methods

    - try different methods: SHXF, MQCXF, MFXF
    
    - try different simulations: initial conditions, sampling, etc.
    
    - try using time-dependent widths
    
    - compute coherences and populations, compare them to the quantum results obtained in the second day
    
    - pay attention to the quality of the energy conservation
    

3. Videorecordings

3.1. UB recording:

3.2. Zoom recordings:

Key Points