CP2K TD-DFT form

Zac Smith

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Nov 4, 2024, 9:32:08 PM11/4/24

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Dear CP2K Community.
Does the TD-DFT calculation in CP2K version 2024 only support TD-DFT in the Tamm-Dancoff approximation(TDA) form? Thanks.

Have a good day

Zac

Jürg Hutter

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Nov 5, 2024, 5:15:46 AM11/5/24

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Hi

Yes, only TDA is available.

regards
JH

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From: cp...@googlegroups.com <cp...@googlegroups.com> on behalf of Zac Smith <qingxi...@gmail.com>
Sent: Tuesday, November 5, 2024 3:32 AM
To: cp2k
Subject: [CP2K:20856] CP2K TD-DFT form

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Zac Smith

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Nov 5, 2024, 8:48:16 AM11/5/24

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Thanks for your reply.

Have a good day

Zac

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