Density-based errors in mixed-basis mean-field electronic structure, with implications for embedding and QM/MM methods

Density-based errors in mixed-basis mean-field electronic structure, with implications for embedding and QM/MM methods

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics Letters - Volume 683, 1 September 2017, Pages 375-382

Sebastian J.R. Lee, Kaito Miyamoto, Feizhi Ding, Frederick R. Manby, Thomas F. III,