SAPT_DFT_EXCH_DISP_SCALE_SCHEME

Scheme for approximating exchange-dispersion for SAPT-DFT. Previous to Nov 2022, default was FIXED with Hesselmann value. NONE Use unscaled Exch-Disp2,u . FIXED Use a fixed factor SAPT_DFT_EXCH_DISP_FIXED_SCALE to scale Exch-Disp2,u . DISP Use the ratio of Disp2,r and Disp2,u to scale Exch-Disp2,u .

  • Type: string

  • Possible Values: NONE, FIXED, DISP

  • Default: FIXED