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#1 2019-11-21 13:28:07
- aitouna
- Member
- Registered: 2019-10-27
- Posts: 20
QTAIM analysis
Hi everybody,
Can the program Multiwfn perform the QTAIM analysis developed by Prof. Richard Bader ? I hope that the answer is yes.
Sincerely,
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#2 2019-11-21 19:00:43
Re: QTAIM analysis
Multiwfn is extremely good at performing QTAIM analysis, there has been numerous published papers that employed Multiwfn for QTAIM analysis.
Please search "AIM" in the "Multiwfn quick start.pdf" document in the Multiwfn binary package, you will immediately know which sections of Multiwfn manual you should read.
Best regards,
Tian
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#3 2019-11-21 21:16:17
- aitouna
- Member
- Registered: 2019-10-27
- Posts: 20
Re: QTAIM analysis
Dear Professor Tian LU,
Thank you very much, it's been a long time looking freeware and powerful software doing this analysis.
Sincerely,
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