I would like to know if Gabedit uses the GaussView algorithm for plotting UV-Vis spectra from excited states calculations output files that is shown in https://gaussian.com/uvvisplot/, or if Gabedit uses an own algorithm. Is there some documentation about it?
The underlying algorithm should be the same, namely using Gaussian function to broadening the spikes (determined by oscillator strengths and excitation energies) to contiguous curves and then accumulate them together.
My code Multiwfn (http://sobereva.com/multiwfn) is also able to simulate UV-Vis spectrum (as well as many other spectra) based on Gaussian output file, see examples in Section 4.11 of the manual. The theories of simulating theoretical spectra (UV-Vis, ECD, IR, Raman, VCD, ROA and NMR) are detailed described in Section 3.13 of the manual, which should be useful for you. If you are intested in the code implementation, you are suggested to check "spectrum.f90" in Multiwfn source code package.
The underlying algorithm should be the same, namely using Gaussian function to broadening the spikes (determined by oscillator strengths and excitation energies) to contiguous curves and then accumulate them together.
My code Multiwfn (http://sobereva.com/multiwfn) is also able to simulate UV-Vis spectrum (as well as many other spectra) based on Gaussian output file, see examples in Section 4.11 of the manual. The theories of simulating theoretical spectra (UV-Vis, ECD, IR, Raman, VCD, ROA and NMR) are detailed described in Section 3.13 of the manual, which should be useful for you. If you are intested in the code implementation, you are suggested to check "spectrum.f90" in Multiwfn source code package.
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