Energy versus amplitude corrected coupled-cluster approaches. I
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Bibliographic record
Abstract
In the spirit of recently proposed renormalized CCSD(T) and CCSD(TQ) methods [K. Kowalski and P. Piecuch, J. Chem. Phys. 113, 5644 (2000), and references therein], we explore the additive, noniterative energy corrections for both the standard and reduced multireference (RMR) CCSD approaches. Our study is based on a simple asymmetric energy expression of the standard single reference (SR) coupled cluster theory and casts a new light on the RMR CCSD method and its relationship with the corresponding MR CISD and SR reference CCSD methods, thus interrelating the amplitude and energy corrected schemes. These developments are illustrated on two exactly solvable model systems, namely, on the DZP models of the H4 system and of the HF molecule. We find that appropriately projected CCSD provides an almost identical energies as does the RMR CCSD method.
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Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
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