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- URN zum Zitieren dieses Dokuments:
- urn:nbn:de:bvb:355-epub-229239
- DOI zum Zitieren dieses Dokuments:
- 10.5283/epub.22923
Zusammenfassung
An efficient local coupled cluster method with single and double excitation operators and perturbative treatment of triple excitations [DF-LCCSD(T)] is described. All required two-electron integrals are evaluated using density fitting approximations. These have a negligible effect on the accuracy but reduce the computational effort by 1–2 orders of magnitude, as compared to standard ...
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