<p>Hi all,<br>In my present spin-orbit coupling calculations (with Version 2008.1 linked 11 Jan 2012, or othert older versions), only uncontracted basis sets have been used. However, in the manual Version 2010.1, it is said that "More recently, a new spin-orbit integral program for generally contracted basis sets has been implemented."<br>
I want to know whats improvements or advantage for SO calculations with contracted basis sets in Version 2010.1 over older ones.</p><p>Any suggestion or comment is appreciated, Thanks!</p><p>Max in Beijing.</p>