Title of article :
Full solution to the coupled-cluster equations: the H4 model
Author/Authors :
Kowalski، نويسنده , , K and Jankowski، نويسنده , , K، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1998
Pages :
9
From page :
180
To page :
188
Abstract :
A version of the homotopy (continuation) methods is successfully applied to calculating the full set of geometrically isolated solutions to a set of nonlinear equations determining the cluster amplitudes in coupled-cluster (CC) methods. The set of equations considered is obtained when applying the CC method, including two-body amplitudes (CCD), to the H4 model. The complete sets of solutions for the spinorbital and spin-symmetry adapted variants of the CCD equations consist of 20 and 12 solutions, respectively. At least 5 solutions are physically meaningful. In addition to standard and nonstandard solutions of the desired symmetry, broken-symmetry solutions are also documented. A preliminary analysis of the significance of the latter solutions is presented.
Journal title :
Chemical Physics Letters
Serial Year :
1998
Journal title :
Chemical Physics Letters
Record number :
1774132
Link To Document :
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