A simple and efficient CCSD(T)-F12 approximation.

By T. Adler, G. Knizia, Hans-Joachim Werner. Journal of Chemical Physics, 2007

1,704 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/4cdcd1a97c46074c63851adced9511caf06e2be5

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. Olexandr Isayev
2. Seiichiro L. Ten-no
3. Jozef Noga
4. Adrian E. Roitberg
5. Christian Devereux
6. B. Nebgen
7. Justin S. Smith
8. Roman I. Zubatyuk

In Spectroscopy

1. Seiichiro L. Ten-no
2. Jozef Noga
3. Adrian E. Roitberg
4. Christian Devereux
5. B. Nebgen
6. Justin S. Smith
7. Roman I. Zubatyuk
8. Olexandr Isayev

Citations in the corpus

• Outsmarting Quantum Chemistry Through Transfer Learning (2018, methodology): “Table 1 provides accuracy and timing benchmarks, clearly Table 1 : Computational cost of CCSD(T)/CBS and CCSD(T)*/CBS methods, and accuracy compared to reference calculations at the CCSD(T)-F12 level of theory 57 .”
• Explicitly correlated electronic structure theory from R12/F12 ansätze (2012, methodology): “Moreover, summation over κλ remained as in (37), i.”