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Symmetric and asymmetric triple excitation corrections for the orbital-optimized coupled-cluster doubles method: Improving upon CCSD(T) and CCSD(T)Λ: Preliminary application

✍ Scribed by Bozkaya, Uğur; Schaefer, Henry F.


Book ID
125439273
Publisher
American Institute of Physics
Year
2012
Tongue
English
Weight
653 KB
Volume
136
Category
Article
ISSN
0021-9606

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📜 SIMILAR VOLUMES


Iterative and non-iterative triple excit
✍ John D. Watts; Rodney J. Bartlett 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 532 KB

New iterative and non-iterative triple excitation corrections to EOM-CCSD are presented based upon the CCSDT-3 method. This method is recommended formally, since it fully employs the EOM-CCSD Hamiltonian /t = exp[-(T 1 + T2)]H exp(T I + T z) in its development. This permits defining iterative EOM-CC