2022/1 – Quantum Physics


2022/2 – Technical aspects of TDDFT calculations

  1. Plotting orbitals: It shows how to extract orbital densities in molden format from q-chem output files and to plot them in the following steps:
    i. using molden software to create cube files;
    ii. using vmd to import cube files and create povray files;
    iii. using povray to create high resolution images without background;
    iv. using inkscape to create nice pdf or png files;

Video 01 https://youtu.be/r1bxdNA7VwE

Video 02 https://youtu.be/gbMt6t_ggdc

Video 03 https://youtu.be/vdTeNPObDfg