Hello, I am a graduate school student of organic chemistry.
I recently knew Avogadro, and was really amazed how this software is awesome.
I have a question about the visualization process of molecular orbitals.
When I open a Gaussian .fchk file (which generated from a .chk file by formchk command of Gaussian 09) by Avogadro, I was surprised that I can quickly access visualized molecular orbitals, because it took much longer time for visualizing molecular orbitals when I used GaussView 5 (MO Editor) or Gaussian cubegen command (for example, "cubegen 0 MO=homo example.fchk example.cube ").
Therefore, my question is as follows.
・Where the visualized surfaces of molecular orbitals came from ?
Avogadro program calculated them ? or they were originally included in .fchk file ?
・ Are the visualized surfaces equivalent to those calculated by Gaussian cubegen command ?
I sincerely appreciate staff members for preparing such a warm community, and apologize my unfamiliar English and newbie questions.