✦ LIBER ✦

Coupled cluster calculations of the vertical excitation energies of tetracyanoethylene

✍ Scribed by Garcı́a-Cuesta, I.; Sánchez de Merás, Alfredo M. J.; Koch, Henrik

Book ID: 115513388
Publisher: American Institute of Physics
Year: 2003
Tongue: English
Weight: 309 KB
Volume: 118
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.1565999

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Coupled-cluster calculations of the exci

Coupled-cluster calculations of the excitation energies of benzene and the azabenzenes

✍ Del Bene, Janet E.; Watts, John D.; Bartlett, Rodney J. 📂 Article 📅 1997 🏛 American Institute of Physics 🌐 English ⚖ 439 KB

Coupled-cluster calculations of the exci

Coupled-cluster calculations of the excitation energies of ethylene, butadiene, and cyclopentadiene

✍ Watts, John D.; Gwaltney, Steven R.; Bartlett, Rodney J. 📂 Article 📅 1996 🏛 American Institute of Physics 🌐 English ⚖ 412 KB

Open-shell coupled-cluster method: Direc

Open-shell coupled-cluster method: Direct calculation of excitation energies

✍ Uzi Kaldor; Azizul Haque 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 381 KB

An open-shell coupled-cluster method for the direct calculation of excitation energies is presented. As a first test, applications to atomic Be and Ne are carried out, with exact inclusion of T, and T2 operators and lowest-order inclusion of T3. Quasicomplete model spaces are used. Two ionization p

Ab initio calculation of the vertical ex

Ab initio calculation of the vertical excitation energies of small helium cluster ions

✍ Volker Staemmler 📂 Article 📅 1992 🏛 Springer 🌐 English ⚖ 562 KB

Economical triple excitation equation-of

Economical triple excitation equation-of-motion coupled-cluster methods for excitation energies

✍ John D. Watts; Rodney J. Bartlett 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 451 KB

Two triple excitation equation-of-motion coupled-cluster (EOM-CC) methods for excitation energies are derived, implemented, and tested. They are excited state analogues of the CC singles, doubles, and linearized triples (CCSDT-1) iterative method and the CCSD method with a noniterative inclusion of

Investigation of an asymmetric triple-ex

Investigation of an asymmetric triple-excitation correction for coupled-cluster energies

✍ T. Daniel Crawford; John F. Stanton 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 316 KB

A correction for the effects of connected triple excitations to the coupled-cluster singles and doubles energy is studied. The approach relies on the fact that the ground-state coupled-cluster energy may be viewed as an eigenvalue of an Ž . effective similarity transformed Hamiltonian with associate