✦ LIBER ✦

Calculation of properties with the coupled-cluster method

✍ Scribed by Hendrik J. Monkhorst

Publisher: John Wiley and Sons
Year: 2009
Tongue: English
Weight: 486 KB
Volume: 12
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560120850

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Direct calculation of vertical ionizatio

Direct calculation of vertical ionization potentials by the coupled-cluster method

✍ Stanislav Biskupička; V. Kvasnička; R. Klein 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 303 KB

The coupled-cluster method in an open-shell version with non-Hen&an model interaction is applied for direct calculation of vertical ionization potentials of closed-shell molecular systems. The theory is illustrated by calculation of vertical ionization potentials of the water molecule. The calculate

Analysis of the projected coupled cluste

Analysis of the projected coupled cluster method in electronic structure calculation

✍ Reinhold Schneider 📂 Article 📅 2009 🏛 Springer-Verlag 🌐 English ⚖ 417 KB

Comparison of coupled-cluster and Brueck

Comparison of coupled-cluster and Brueckner coupled-cluster calculations of molecular properties

✍ Rika Kobayashi; Henrik Koch; Poul Jørgensen; Timothy J. Lee 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 575 KB

The dipole moment, polarizabilities and hyperpolarizabilities of Ne, Be, BH, CH+, CO and NNO have been determined using the coupled-cluster and Brueckner coupled-cluster methods. The effect of orbital relaxation on these properties has been investigated implicitly, by carrying out singles and double

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

Origins of the Coupled Cluster Method

✍ Hermann Kümmel 📂 Article 📅 1991 🏛 Springer 🌐 English ⚖ 524 KB

Nuclear Structure Calculations with Coup

Nuclear Structure Calculations with Coupled Cluster Methods from Quantum Chemistry

✍ D.J. Dean; J.R. Gour; G. Hagen; M. Hjorth-Jensen; K. Kowalski; T. Papenbrock; P. 📂 Article 📅 2005 🏛 Elsevier Science 🌐 English ⚖ 180 KB

We present several coupled-cluster calculations of ground and excited states of 4 He and 16 O employing methods from quantum chemistry. A comparison of coupled cluster results with the results of exact diagonalization of the hamiltonian in the same model space and other truncated shell-model calcula