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Author Topic: Time-dependent DFT in Quantumatk  (Read 3236 times)

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Offline narin

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Time-dependent DFT in Quantumatk
« on: January 1, 2024, 11:23 »
Dear sirs,

Is it possible to simulate the water radiolysis in Quantumatk such as in this paper: https://pubs.acs.org/doi/abs/10.1021/acs.jpca.8b01259

Thanks
Narin
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Offline Anders Blom

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Re: Time-dependent DFT in Quantumatk
« Reply #1 on: January 5, 2024, 20:38 »
No, this is not implemented in QuantumATK.
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Offline narin

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Re: Time-dependent DFT in Quantumatk
« Reply #2 on: January 10, 2024, 06:12 »
Thanks for the reply.
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