The datasets described in this article contain potential energy curves for several diatomic systems. The data was obtained via high-performance computing using MOLPRO, a system of ab initio programs for advanced molecular electronic structure calculations. The datasets allow to model bond lengths, energy levels, spectra and time-evolution of molecular dimers for which the data are presented.
Authors
Additional information
- DOI
- Digital Object Identifier link open in new tab 10.34808/x55q-sz53_dyr_roz36
- Category
- Publikacja monograficzna
- Type
- rozdział, artykuł w książce - dziele zbiorowym /podręczniku w języku o zasięgu międzynarodowym
- Language
- angielski
- Publication year
- 2022
