New relativistic ANO basis sets for transition metal atoms.

By B. Roos, Roland Lindh, P. Malmqvist, V. Veryazov, Per-Olof Widmark. Journal of Physical Chemistry A, 2005

931 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/498f4558dfb8d53d97072bc779ebfee223b985fd