Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00036F, Paper
DOI: 10.1039/D4FD00036F, Paper
Open Access
This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Daniel Kats, Evelin Martine Corvid Christlmaier, Thomas Schraivogel, Ali Alavi
We present a combination of the bi-orthogonal orbital optimisation framework with the recently introduced xTC version of transcorrelation. This allows us to implement non-iterative perturbation based methods on top of...
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We present a combination of the bi-orthogonal orbital optimisation framework with the recently introduced xTC version of transcorrelation. This allows us to implement non-iterative perturbation based methods on top of...
The content of this RSS Feed (c) The Royal Society of Chemistry