Local treatment of electron excitations in the EOM-CCSD method

By Tatiana Korona, Hans-Joachim Werner. 2003

257 citations recorded by the source corpus.

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

View Paper: https://www.semanticscholar.org/paper/7f4f115c056dbe9dd26e4766f91fdc605484dee2

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. Anna I. Krylov
8. Venera Khoromskaia

In Materials Chemistry

1. Frederick R. Manby
2. Hans-Joachim Werner
3. Peter J. Knowles
4. G. Knizia
5. Anna I. Krylov

Citations in the corpus

• Equation-of-motion coupled-cluster methods for open-shell and electronically excited species: the Hitchhiker's guide to Fock space. (2008, background): “Last, but not least, algorithmic improvements such as resolution-of-identity implementations (122–124), reduced-scaling algorithms (125, 126), and parallelization will address the scaling problem and extend EOM to larger systems.”
• Molpro: a general‐purpose quantum chemistry program package (2012, methodology): “23 For open shells, UMP2 (based on UHF orbitals) and RMP2 (based on ROHF semicanonical orbitals 24 ) are implemented.”