Define O3LYP in Gaussian03
- From: "Phung Quan - Khoa Hoa"
<quanph=at=hcmuns.edu.vn>
- Subject: Define O3LYP in Gaussian03
- Date: Fri, 14 May 2004 17:39:34 +0700
Dear all,
I've would like to define the methoad O3LYP in Gaussain 03.
O3LYP = 0.1161XHX + 0.9262XS + 0.8133OPTX + 0.19VWN5 + 0.81LYP
Please, help me the way to define it in Gaussian03.
Thanks,
=======================================================
Phung Quan
Falculty of Chemistry
University of Natural Sciences,
VietNam National University of HoChiMinh City
227 Nguyen Van Cu St., Dist. 5,
HoChiMinh City, VietNam
Email: quanph=at=hcmuns.edu.vn or
quanph_2000=at=hotmail.com or quanph_2000=at=yahoo.com
quan.phung=at=chem.kuleuven.ac.be