TURBOMOLE Users Forum

TURBOMOLE Modules => Treatment of Solvation Effects with COSMO => Topic started by: dbk80 on July 17, 2014, 12:43:08 PM

Title: non equilibrium correction using ADC(2)/COSMO
Post by: dbk80 on July 17, 2014, 12:43:08 PM
Hi,

I am interested in doing an ADC(2)/COSMO calculation. If I understand correctly, the non-equilibrium correction terms reflect both state specific and linear response terms. Can I turn one of these off so I can evaluate their contribution separately?

Thank you in advance,

Daria.