Efficient Implementation of Equation-of-Motion Coupled-Cluster Singles and Doubles Method with the Density-Fitting Approximation: An Enhanced Algorithm for the Particle–Particle Ladder Term
Author:
Affiliation:
1. Graduate School of Science and Engineering, Hacettepe University, Ankara 06800, Turkey
2. Department of Chemistry, Hacettepe University, Ankara 06800, Turkey
Funder
T?rkiye Bilimsel ve Teknolojik Arastirma Kurumu
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c01000
Reference84 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. Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules
3. Coupled-cluster approach to molecular structure and spectra: a step toward predictive quantum chemistry
4. An Introduction to Coupled Cluster Theory for Computational Chemists
5. Coupled-cluster theory in quantum chemistry
Cited by 3 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. Robust Tensor Hypercontraction of the Particle–Particle Ladder Term in Equation-of-Motion Coupled Cluster Theory;Journal of Chemical Theory and Computation;2024-01-10
2. Analytic gradients for relativistic exact-two-component equation-of-motion coupled-cluster singles and doubles method;The Journal of Chemical Physics;2023-12-28
3. The versatility of the Cholesky decomposition in electronic structure theory;WIREs Computational Molecular Science;2023-10-25
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