General-order open-shell coupled-cluster method with partial-spin adaptation II: further formulations, simplifications, implementations, and numerical results
Chemical Physics
2025-01-02 v1
Abstract
This is a continuation of the previous work (arXiv:2403.10128). Additional aspects such as linear combinations of projections and hash-table canonicalizations are described. Implementations of the general-order partial-spin adaptation (PSA) coupled-cluster (CC) method are outlined. Numerical results are reported.
Cite
@article{arxiv.2412.11029,
title = {General-order open-shell coupled-cluster method with partial-spin adaptation II: further formulations, simplifications, implementations, and numerical results},
author = {Cong Wang},
journal= {arXiv preprint arXiv:2412.11029},
year = {2025}
}