Hello !
Is there any Documentation or Details on the exact definition of the energy components of SAPT ?
I want the exact definition of Dispersion, Induction ,Electrostatic and Exchange Repulsion terms that psi4 uses .
Thank you!
Hello !
Is there any Documentation or Details on the exact definition of the energy components of SAPT ?
I want the exact definition of Dispersion, Induction ,Electrostatic and Exchange Repulsion terms that psi4 uses .
Thank you!
Hello,
There is documentation, it is called the Psi4 manual and can be found there: http://www.psicode.org/psi4manual/1.1/sapt.html
There are several references in the first section that will take you to papers detailing the different equations.