QUALITY: a program to assess basis set quality. Nature of problem: Given a number of basis sets and a set of (atomic or molecular) properties, the most appropriate basis set to compute all properties considered is selected by the program. (Source: http://cpc.cs.qub.ac.uk/summaries/)
References in zbMATH (referenced in 3 articles , 1 standard article )
Showing results 1 to 3 of 3.
- Feragen, Aasa (ed.); Hotz, Thomas (ed.); Huckemann, Stephan (ed.); Miller, Ezra (ed.): Statistics for data with geometric structure. Abstracts from the workshop held January 21--27, 2018 (2018)
- Sordo, J. A.: QUALITY: A program to assess basis set quality (1998)
- Barnett, Vic (ed.); Feridun Turkman, K. (ed.): Statistics for the environment 3. Pollution assessment and control (1997)