Subject: Question about the initial guess in G98

From: wxin <[email-masked]>
Date: Wed, 26 Feb 2003 21:26:4 +0800

Dear ccl-listers, 
In program Gaussian98 one can use the converged wavefunction of one basis set as the initial guess wavefunction for another basis set. Who can tell me in detail that how the Gaussian program handle these wavefunctions expanded by different basis sets, that is how to use one wavefunction of one basis set as 
the initial guess for the wavefunction of another basis set. 

       Thanks!

           Xin Wang 
               Institute of Theoretical and Computational Chemistry
               College of Chemistry and Chemical Engineering
               Nanjing University
               Nanjing, 210093
               P. R. China