Incremental embedding: A density matrix embedding scheme for molecules
© 2018 Author(s). The idea of using fragment embedding to circumvent the high computational scaling of accurate electronic structure methods while retaining high accuracy has been a long-standing goal for quantum chemists. Traditional fragment embedding methods mainly focus on systems composed of we...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing
2022
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| Online Access: | https://hdl.handle.net/1721.1/141327 |