Orbital optimisation in xTC transcorrelated methods
Author:
Affiliation:
1. Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart, Germany
Abstract
Funder
Deutsche Forschungsgemeinschaft
Max-Planck-Gesellschaft
Publisher
Royal Society of Chemistry (RSC)
Link
http://pubs.rsc.org/en/content/articlepdf/2024/FD/D4FD00036F
Reference118 articles.
1. On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods
2. Local treatment of electron correlation in coupled cluster theory
3. Low-order scaling local electron correlation methods. III. Linear scaling local perturbative triples correction (T)
4. An efficient local coupled cluster method for accurate thermochemistry of large systems
5. Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory
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