Double Hybrid Functionals and the Π-System Bond Length Alternation Challenge: Rivaling Accuracy of Post-HF Methods
- 期刊名称Journal of Chemical Theory and Computation
- 作者Wykes, Michael; Su, Neil Qiang; Xu, Xin; Adamo, Carlo; Sancho-García, Juan-Carlos
- 卷第11卷
- 期第2期
- 印刷ISSN1549-9618
- 电子ISSN1549-9626
- 文件大小1556.57KB
- 发表时间2015-02-10
- DOI10.1021/ct500986b
- 页码832-838
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