Search
Abstract
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.
Citations
-
0
CrossRef
-
0
Web of Science
-
0
Scopus
Authors (2)
Cite as
Full text
download paper
downloaded 261 times
- Publication version
- Accepted or Published Version
- DOI:
- Digital Object Identifier (open in new tab) 10.34808/x55q-sz53_dyr_roz36_OK
- License
-
open in new tab
Keywords
Details
- Category:
- Monographic publication
- Type:
- rozdział, artykuł w książce - dziele zbiorowym /podręczniku w języku o zasięgu międzynarodowym
- Language:
- English
- Publication year:
- 2022
- Bibliographic description:
- Jasik P., Kilich T.: Potential Energy Curves of Diatomic Alkali Molecules Datasets// Sharing research data across disciplines/ : , , s.226-229
- DOI:
- Digital Object Identifier (open in new tab) 10.34808/x55q-sz53_dyr_roz36
- Sources of funding:
- Verified by:
- Gdańsk University of Technology
seen 176 times
Recommended for you
Positron binding to alkali-metal hydrides: The role of molecular vibrations
- F. Gianturco,
- J. Franz,
- R. Buenker
- + 5 authors
2006