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Convergence of a matrix-oriented coupled cluster (doubles) method

✍ Scribed by Clifford E. Dykstra; Joseph D. Augspurger

Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
255 KB
Volume
145
Category
Article
ISSN
0009-2614

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✦ Synopsis

The convergence of an iterative matrix-oriented coupled cluster approach is investigated and compared with a more recent implementation. Where the reference wavefunction dominates, the special features of the matrix-oriented implementation result in rapid convergence.

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