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| Name | Modified | Size | Downloads / Week |
|---|---|---|---|
| Parent folder | |||
| readme.txt | 2023-08-24 | 1.9 kB | |
| fgHAM0-(FourierGrid1D).zip | 2023-08-24 | 119.1 MB | |
| sPade.zip | 2023-08-24 | 537.7 kB | |
| SPLIT.zip | 2023-08-24 | 17.3 MB | |
| STQ.zip | 2022-09-04 | 7.1 MB | |
| RKRs.zip | 2021-12-22 | 310.3 kB | |
| DunTerm.zip | 2021-12-22 | 239.6 kB | |
| SchE.zip | 2021-12-22 | 6.4 MB | |
| MorsPot.zip | 2020-06-16 | 216.1 kB | |
| GeSpl.zip | 2020-01-03 | 2.3 MB | |
| Totals: 10 Items | 153.5 MB | 3 | |
OPTIMIZER APPLICATIONS ====================== by Vladimir Borisovich SOVKOV St. Petersburg State University (Russia), Shanxi University (China) Licensing provisions: GNU General Public License 3 (GPL) The folder APPLICATIONS contains a collection of application model programs adapted for using with Optimizer. They present general tools for function approximations as well as more specific tools for computational quantum mechanics of molecules. The collection is constantly extended. Details on every application program can be found in the readme.txt file within every specific zipped folder. ======================================== Currently, the collection includes: ----------------------------------- 1. GeSpl.zip - The Generalized smoothing spline. ----------------------------------- 2. MorsPot.zip - The Quantum mechanics of Morse oscillator. ----------------------------------- 3. sPade.zip - The Pade approximants. ----------------------------------- 4. fgHAM0-(FourierGrid1D).zip - The (Mapped) Fourier Grid Method for the 1D multichannel Hamiltonian. ----------------------------------- 5. DunTerm.zip - The Dunham series for ro-vibrational term values of a diatomic molecule. ----------------------------------- 6. RKRs.zip - The Rydberg-Klein-Rees (RKR) method for constructing a diatomic potential from ro-vibrational terms. ----------------------------------- 7. SchE.zip - The Numerov and renormalized Numerov method for the 1D Schrodinger equation. ----------------------------------- 8. STQ.zip - The model of optical electronic transitions in a polyatomic molecule with quadratic potentials, including quadratic repulsion. ----------------------------------- 9. Split.zip - Split-operator method for computing dynamics and optical transition spectra of a 1D multichannel quantum system (e. g., a diatomic molecule).