Title of article
Use of 2h and 3h − p-like coupled-cluster Tamm–Dancoff approaches for the equilibrium properties of ozone
Author/Authors
Sattelmeyer، نويسنده , , Kurt W and Schaefer III، نويسنده , , Henry F and Stanton، نويسنده , , John F، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2003
Pages
5
From page
42
To page
46
Abstract
Equation-of-motion coupled-cluster theory in a 2h and 3h − p-like TDA approach has been utilized to determine properties of the ground state of ozone (O3). Many of the values produced with this scheme are better than those obtained with other approaches with similar computational scaling properties.
Journal title
Chemical Physics Letters
Serial Year
2003
Journal title
Chemical Physics Letters
Record number
1783078
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