✦ LIBER ✦

Analytic gradients for the state-specific multireference coupled cluster singles and doubles model

✍ Scribed by Prochnow, Eric; Evangelista, Francesco A.; Schaefer, Henry F.; Allen, Wesley D.; Gauss, Jürgen

Book ID: 120241069
Publisher: American Institute of Physics
Year: 2009
Tongue: English
Weight: 583 KB
Volume: 131
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.3204017

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Reduced multireference coupled cluster m

Reduced multireference coupled cluster method with singles and doubles: Perturbative corrections for triples

✍ Li, Xiangzhu; Paldus, Josef 📂 Article 📅 2006 🏛 American Institute of Physics 🌐 English ⚖ 478 KB

Localized orbitals in the coupled cluste

Localized orbitals in the coupled cluster singles and doubles model

✍ William D. Laidig; George D. Purvis III; Rodney J. Bartlett 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 612 KB

The orbital-specific-virtual local coupl

The orbital-specific-virtual local coupled cluster singles and doubles method

✍ Yang, Jun; Chan, Garnet Kin-Lic; Manby, Frederick R.; Schütz, Martin; Werner, H 📂 Article 📅 2012 🏛 American Institute of Physics 🌐 English ⚖ 573 KB

The second-order approximate coupled clu

The second-order approximate coupled cluster singles and doubles model CC2

✍ Ove Christiansen; Henrik Koch; Poul Jørgensen 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 747 KB

Generalization of coupled-cluster respon

Generalization of coupled-cluster response theory to multireference expansion spaces: application of the coupled-cluster singles and doubles effective Hamiltonian

✍ Seiichiro Ten-no; Suehiro Iwata; Sourav Pal; Debashis Mukherjee 📂 Article 📅 1999 🏛 Springer 🌐 English ⚖ 214 KB

A full coupled‐cluster singles and doubl

A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples

✍ Purvis, George D.; Bartlett, Rodney J. 📂 Article 📅 1982 🏛 American Institute of Physics 🌐 English ⚖ 957 KB