Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3.

By M. Schreiber, Mario R Silva-Junior, S. Sauer, Walter Thiel. Journal of Chemical Physics, 2008

888 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Electrical and Electronic Engineering, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/cff6a8e287b07b4aa4efc256286a577f793a1091

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. Walter Thiel
2. Denis Jacquemin
3. Pierre‐François Loos

In Electrical and Electronic Engineering

1. Walter Thiel
2. Denis Jacquemin

In Physical and Theoretical Chemistry

1. Walter Thiel
2. Denis Jacquemin

Citations in the corpus

• QUESTDB: A database of highly accurate excitation energies for the electronic structure community (2020, background): “For CCSD, this conclusion fits benchmark studies published by other groups [61, 210, 224–227].”
• Basis set effects on coupled cluster benchmarks of electronically excited states: CC3, CCSDR(3) and CC2 (2010, methodology): “derived [1] from linear response CC3 and multistate CASPT2 calculations as well”