CCL:G: modeling crystal by gaussian
From
: partha kundu <partha1kundu-$-gmail.com>
Subject
: CCL:G: modeling crystal by gaussian
Date
: Tue, 10 Mar 2015 16:28:47 +0530
Dear All,
While modeling a crystal structure by Gaussian we neglect the periodic boundary condition. How far the model is successful in predicting the property of the solid? What are its limitation?
Partha P. Kundu