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Date of this version of the software:   September 5, 2013

VEMGAUSS version 2013

Aleksandr V. Marenich, Christopher J. Cramer, and Donald G. Truhlar
Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455-0431, USA


Abstract:

VEMGAUSS is a program designed to carry out a calculation of the vertical excitation (absorption) or emission energy in solution according to the VEM model. The abbreviation VEM originally refers to the vertical excitation model but with the VEMGAUSS program it can be used for both excitation and emission calculations in solution. To run a VEM calculation, VEMGAUSS employs Gaussian 09's output file from an excited electronic state calculation using the Polarizable Continuum Model (PCM) (either IEFPCM or CPCM) and time-dependent density functional theory (TDDFT) or the configuration interaction singles (CIS) method. This requires the user to have a Gaussian 09 executable (Revision A or later) installed. The VEMGAUSS program does not require Gaussian 09 source code, nor does it make any modifications to Gaussian 09 code. Gaussian 09 licenses are available from Gaussian, Inc., and VEMGAUSS licenses are available from the University of Minnesota.


VEMGAUSS version 2013 Users Manual:

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This document last modified  by Software Manager