In the DFT-ulg method of Kim et al., the correction term takes the form: E d i s p = − 1 2 s l g ∑ i = 1 N a t ∑ j = 1 N a t ∑ L ′ C 6 i j r i j , L 6...
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Spicher, C. Bannwarth, and S. Grimme, J. Chem. Phys. 150, 154122 (2019). ↑ H. Kim, J.-M. Choi, and W. A. Goddard, III, J. Phys. Chem. Lett. 3, 360 (2012). ↑...
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Wende, M. Marsman, J. Kim, F. Vasilev, Z. Zhao, and T. Steinke, Int. J. Quantum Chem. 2018;e25851 Many thanks to Jeongnim Kim and Fedor Vasilev at Intel...
11 KB (1,252 words) - 15:29, 14 September 2022
Steinmann and C. Corminboeuf, J. Chem. Theory Comput. 7, 3567 (2011). ↑ H. Kim, J.-M. Choi, and W. A. Goddard, III, J. Phys. Chem. Lett. 3, 360 (2012). ↑...
58 members (0 subcategories, 0 files) - 14:18, 27 February 2025
1 (1996). ↑ J. Sun, M. Marsman, G. Csonka, A. Ruzsinszky, P. Hao, Y.-S. Kim, G. Kresse, and J. P. Perdew, Phys. Rev. B 84, 035117 (2011). ↑ J. Sun, A...
123 members (3 subcategories, 0 files) - 14:16, 6 March 2025
