Comparison of the T1 and D1 diagnostics for electronic structure theory: a new definition for the open-shell D1 diagnostic

By Timothy J. Lee. 2003

171 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Organic Chemistry

View Paper: https://www.semanticscholar.org/paper/bce372cf92736c627b11d52a8088b0206dcfba13