期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 13, 期 45, 页码 20104-20107出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c1cp22592h
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Spin-component scaled double hybrids including dispersion correction were optimized for many exchange and correlation functionals. Even DSD-LDA performs surprisingly well. DSD-PBEP86 emerged as a very accurate and robust method, approaching the accuracy of composite ab initio methods at a fraction of their computational cost.
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