https://www.quanty.org/ 2026-04-30T19:31:22+00:00 https://www.quanty.org/ https://www.quanty.org/_media/wiki/dokuwiki.svg text/html 2025-11-20T02:29:47+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.quanty.org/documentation/tutorials/small_programs_a_quick_start/eigenstates_of_coulomb?rev=1763605787&do=diff Eigenstates of Coulomb The second example calculates the eigen-states, (terms) of the Coulomb operator. The input of the small program written in Quanty is given by the file conf.in. You can give the angular momentum of the shell and the number of electrons as the input. Again I would recommend that you make sure you understand the meaning of the physics, but do not worry at this point about the script written in Quanty.small_programs_a_quick_start index text/html 2025-11-20T02:29:47+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.quanty.org/documentation/tutorials/small_programs_a_quick_start/energy_level_diagram?rev=1763605787&do=diff Energy level diagram Example four shows the calculation of an energy level diagram of Ni$^{2+}$ as a function of the cubic crystal field parameter. Temperature leads to an occupation of excited states according to Bolzman statistics. It then becomes important to know the excited states. Here we calculate a graph showing these states as a function of the crystal-filed parameters. Although crystal field theory is often a highly oversimplified theory not accurate enough to describe a system well, d… text/html 2025-11-20T02:29:46+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.quanty.org/documentation/tutorials/small_programs_a_quick_start/operators_as_matrices?rev=1763605786&do=diff Operators as matrices In the first example we show a small script written in Quanty that works and does not require further programming. The script creates the spin, angular momentum and Coulomb operator as matrices on a many body basis. The file conf.in defines the angular momentum of the shell and the number of electrons in this shell. We recommend to understand the quantum mechanics presented in this script, i.e. why are there 15 states for two electrons in the $p$small_programs_a_quick_start… text/html 2025-11-20T02:29:47+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.quanty.org/documentation/tutorials/small_programs_a_quick_start/start?rev=1763605787&do=diff Small programs: A quick start The first sections shows several small programs that can do a particular calculation related to atomic physics and core-level spectroscopy. They give a flavor of what the program can do, but these examples are not ment as introductions to the program language.small_programs_a_quick_start index text/html 2025-11-20T02:29:47+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.quanty.org/documentation/tutorials/small_programs_a_quick_start/xas?rev=1763605787&do=diff XAS Example three calculates the $2p$ to $3d$ x-ray absorption spectra of transition metal compounds in cubic symmetry. It does so on a crystal field theory level. (Not the most accurate, but very informative. Ligand field calculations can be found later in the tutorials) As input it requires the ion name, the scaling factor for the Slater integrals, the size of the crystal field, a possible magnetic field and a temperature. The output contains the x-ray absorption spectra for all possible polar…