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

✍ Scribed by Ove Christiansen; Henrik Koch; Poul Jørgensen

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
747 KB
Volume
243
Category
Article
ISSN
0009-2614

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Convergence of the coupled-cluster singl
Convergence of the coupled-cluster singles, doubles and triples method
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The convergence of coupled-cluster equations for several cases, CCD, CCSD, CCSDT-n and the full CCSDT is investigated. Comparisons are made between the reduced linear equation (RLE) method for accelerating convergence and simple geometric extrapolation techniques, and between energy and wavefunction

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✍ G.W. Trucks; J. Noga; R.J. Bartlett 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 57 KB

With the help of G. Scuseria and H.F. Schaefer III, we have found an improper factor of 2 in non-linear HN T: contributions to T, amplitudes only for the fill CCSDT results

Calculation of X-ray scattering intensit
Calculation of X-ray scattering intensities by means of the coupled cluster singles and doubles model
✍ Noboru Watanabe; Yohei Kamata; Kota Yamauchi; Yasuo Udagawa 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 124 KB 👁 1 views

## Abstract Total X‐ray scattering intensity σ~ee~(__q__) is very sensitive to electron correlation effects. In this study σ~ee~(__q__) of N~2~, CO, and N~2~O have been computed by the coupled cluster singles and doubles (CCSD) method and compared with configuration interaction singles and doubles