Towards efficient and accurate ab initio solutions to periodic systems via transcorrelation and coupled cluster theory
We propose a streamlined combination of the transcorrelation (TC) and coupled cluster (CC) theory, which not only increases the convergence rate with respect to the basis set but also extends the applicability of the lowest-order CC approximations to strongly correlated systems. Using the three-dime...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2021-07-01
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| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/PhysRevResearch.3.033072 |