Higher excitations in coupled-cluster theory

By Mihály Kállay, P. Surján. 2001

642 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Condensed Matter Physics

View Paper: https://www.semanticscholar.org/paper/5815a6e48b2412ea191bf4895df79322de8f04b4

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. Hans-Joachim Werner
2. Frederick R. Manby
3. G. Knizia
4. Peter J. Knowles
5. Martin Schütz
6. Qianli Ma
7. Devin A. Matthews
8. John F. Stanton

In Condensed Matter Physics

1. John F. Stanton
2. Hans-Joachim Werner
3. Devin A. Matthews
4. G. Knizia

Citations in the corpus

• Molpro: a general‐purpose quantum chemistry program package (2012, background): “The MRCC program of K´allay 27,28 is inter-faced to Molpro, making it possible to carry out coupled-cluster calculations with higher excitations (CCSDT(Q), CCSDTQ, and many other variants).”
• A massively parallel tensor contraction framework for coupled-cluster computations (2014, methodology): “The ACES III package uses the SIAL framework [31, 14] for distributed memory tensor contractions in coupled-cluster theory.”
• Coupled-cluster theory in quantum chemistry (2007, background): “…a high-order CC program quite straightforward, and that, plus using various automatic Hirata, 2003 or other computer-generated programs Olsen, 2000; Kallay and Surjan, 2001; Kallay and Gauss, 2004 , has now made it possible to go to quite high levels of excitation through hextuples, i.e.,…”