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#1 2025-02-25 19:09:17
- Abdulrahman Allangawi
- Member
- Registered: 2025-02-25
- Posts: 6
Lifetimes of excited states in TDDFT
Dear All,
I am working on a project involving excitations via TDDFT calculations. As such, I want to calculate the lifetime of the excited states. Can this analysis be done using Multiwfn?
The following is an explanation of what is needed for the analysis, taken from a previous paper.
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#2 2025-02-25 19:36:20
Re: Lifetimes of excited states in TDDFT
You can easily manually calculate lifetime via this equation: τ≈1.5/(f * ν^2), where τ is lifetime in s, ν is excitation energy in cm^-1, f is the oscillator strength (dimensionless).
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#3 2025-02-25 19:43:16
- Abdulrahman Allangawi
- Member
- Registered: 2025-02-25
- Posts: 6
Re: Lifetimes of excited states in TDDFT
Thanks a lot!
Do you have a reference in which they used this method? I want to cite them in my work.
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#4 2025-02-26 03:53:45
Re: Lifetimes of excited states in TDDFT
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