The Journal of Chemical Physics· 2013Q1
An efficient and near linear scaling pair natural orbital based local coupled cluster method
- 1,975citations
- Q1SCImago
- 2013year
Short summary
A new Domain-based Local Pair Natural Orbital Coupled Cluster Singles Doubles (DLPNO-CCSD) method achieves near linear scaling with system size, reducing computational cost by over an order of magnitude compared to its predecessor while maintaining accuracy.
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Atomic and Molecular Physics, and OpticsPhysics and Astronomy