Optimization of auxiliary basis sets for RI-MP2 and RI-CC2 calculations: Core–valence and quintuple-ζ basis sets for H to Ar and QZVPP basis sets for Li to Kr

By Christof Hättig. 2005

562 citations recorded by the source corpus.

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

View Paper: https://www.semanticscholar.org/paper/db233d5a9d38b70319d5848ddec5439b23385287

Citations in the corpus

• Basis set effects on coupled cluster benchmarks of electronically excited states: CC3, CCSDR(3) and CC2 (2010, unknown): “provided by the TURBOMOLE library [30, 31].”