The DOI matches its Crossref record; 29 of the 29 references it cites were found in a registry or an index.
Unbiased auxiliary basis sets for accurate two-electron integral approximations
Abstract
We propose Cholesky decomposition (CD) of the atomic two-electron integral matrix as a robust and general technique for generating auxiliary basis sets for the density fitting approximation. The atomic CD (aCD) auxiliary basis set is calculated on the fly and is not biased toward a particular quantum chemical method. Moreover, the accuracy of the aCD basis set can be controlled with a single parameter.
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Cites
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Riley, K. E., Pitoňák, M., Jurečka, P., & Hobza, P. (2010) · Chemical Reviews · doi:10.1021/cr1000173 · Cited by 759
Progress and Challenges in the Calculation of Electronic Excited States
González, L., Escudero, D., & Serrano‐Andrés, L. (2012) · ChemPhysChem · doi:10.1002/cphc.201100200 · Cited by 429
Møller–Plesset perturbation theory: from small molecule methods to methods for thousands of atoms
Cremer, D. (2011) · WIREs Computational Molecular Science · doi:10.1002/wcms.58 · Cited by 274
Freitag, L., Knecht, S., Angeli, C., & Reiher, M. (2017) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.6b00778 · Cited by 119
Metadata
- Authors
- Aquilante, F., Lindh, R., & Bondo Pedersen, T.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 2007-09-19
- Volume
- 127
- Issue
- 11
- Pages
- 114107-114107
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W1970040244
- Cited by
- 386
- References
- 29
- FWCI
- 5.91
- Type
- journal article
- Language
- en
- Open access
- closed
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