Electrostatic potential

Posted by Rafael R. Pappalardo on September 10, 2001 at 12:15:53:

I would like to know if MOLCAS could compute the electrostatic potential at some points.
The aim is to compute atomic charges fitted to the
electrostatic potential using the output from MOLCAS.

Best regards

Follow Ups:

• Re: Electrostatic potential Roland Lindh 11:14:54 9/23/01 (0) 213.66.76.101

Post a Followup

Name:
E-Mail:

Subject:

Comments:
: I would like to know if MOLCAS could compute the electrostatic potential at some points. : The aim is to compute atomic charges fitted to the : electrostatic potential using the output from MOLCAS. : Best regards