Multiconfiguration calculation in Gaussian03
- From: "Ding Xunlei" <dxl |a| ustc.edu.cn>
- Organization: University of Science and Technology of China
- Subject: Multiconfiguration calculation in Gaussian03
- Date: Sun, 26 Jun 2005 15:55:50 +0800
Dear Sir/Madam#:
I want to do some Multiconfiguration calculations using G03.
I want to know whether CISD, QCISD(T), CCSD(T) are multiconfiguration
calculations?
Is QCISD based on CISD?
Is the precision of these method as below:
CISD<QCISD<QCISD(T)<QCISD(T,E4T)~QCISD(TQ) ?
Thank you for your help!
Yours sincerely,
Ding Xunlei
2005-06-26
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