Higher-order equation-of-motion coupled-cluster methods
β Scribed by Hirata, So
- Book ID
- 115514797
- Publisher
- American Institute of Physics
- Year
- 2004
- Tongue
- English
- Weight
- 338 KB
- Volume
- 121
- Category
- Article
- ISSN
- 0021-9606
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π SIMILAR VOLUMES
Two triple excitation equation-of-motion coupled-cluster (EOM-CC) methods for excitation energies are derived, implemented, and tested. They are excited state analogues of the CC singles, doubles, and linearized triples (CCSDT-1) iterative method and the CCSD method with a noniterative inclusion of
Several coupled-cluster approximations to the full CCSDTQ model, correct through sixth order, are presented and illustrated by numerical comparisons to full CI. Both iterative and non-iterative methods built upon underlying CCSDT solutions are considered. Unlike CCSDTQ, which is an -n" computational