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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:

PDF format


Licensing and downloading:

VEMGAUSS - version 2013 is licensed under the Apache License, Version 2.0.
The manual of VEMGAUSS - version 2013 is licensed under CC-BY-4.0.

Publications of results obtained with the VEMGAUSS - version 2013 software should cite the program and/or the article describing the program.

No guarantee is made that this software is bug-free or suitable for specific applications, and no liability is accepted for any limitations in the mathematical methods and algorithms used within. No consulting or maintenance services are guaranteed or implied.

The use of the VEMGAUSS - version 2013 implies acceptance of the terms of the licenses. The software may be downloaded here.


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This document last modified on September 5, 2013  by Software Manager