我们很高兴的通知您，Gaussian 09 E.01与《Exploring Chemistry With Electronic Structure Methods》第三版于2015年12月22日起正式发布，并接受预定。
Gaussian 09 E.01 Release Note： ［点击下载］
- Formatted checkpoint files now include the version of G09 used and also a job status flag, so that GUIs can determine whether a job is still running, failed or completed successfully. The number of imaginary frequencies is also included for frequency jobs
- EOMCC=ListWindow now reads the window only once insted of twice.
- The TDHF excited states method now defaults to using the MO basis, the same default as for CIS.
- A fix for the reference atoms used in Hirshfeld charges will change the reported charges slightly.
- The overhead in using Linda parallelism with ECPs was removed.
- The build procedures include compiling natively for Sandybridge (AVX) x86_64 processors, including an AVX-enabled ATLAS library. A Sandybridge/Haswell binary distribution is also available.
- The divide-and-conquer diagnonalization and SVD routines work in a larger fraction of cases.