Title of article
Application of the transcorrelated Hamiltonian to the linearized coupled cluster singles and doubles model
Author/Authors
Hino، نويسنده , , Osamu and Tanimura، نويسنده , , Yoshitaka and Ten-no، نويسنده , , Seiichiro، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2002
Pages
7
From page
317
To page
323
Abstract
Explicitly correlated calculations using the transcorrelated Hamiltonian are performed at the level of linearized coupled cluster (LCC) theory. Two different reference functions are employed in the calculations and the results are compared with those of the conventional LCC. The application to the water molecule shows a markedly better convergence of the correlation energies when the transcorrelated Hamiltonian is used than in the conventional approach. We also present results for some other ten-electron systems, Ne, HF, NH3, and CH4.
Journal title
Chemical Physics Letters
Serial Year
2002
Journal title
Chemical Physics Letters
Record number
1779682
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