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Extensive TDDFT Benchmark Study of the Resonance Raman Spectra of Lumiflavin

open access: yesJournal of Computational Chemistry, Volume 46, Issue 26, October 5, 2025.
An extensive computational TDDFT resonance Raman study of lumiflavin is presented including forty‐two different DFT functionals, benchmarked against the experimental spectra of FMN. The inclusion of resonance enhancements improved the agreement for most functionals.
Prokopis C. Andrikopoulos, Heba Halimeh
wiley   +1 more source

The modified airy function approximation applied to the double-well potential

open access: yesAIP Advances
The single harmonic oscillator and double-well potentials are important systems in quantum mechanics. The single harmonic oscillator is the paradigm in physics and is taught in nearly all beginner undergraduate classes, while the double-well potential ...
N. Wine, J. Achtymichuk, F. Marsiglio
doaj   +1 more source

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