Dear all,
A new feature in yambo is the numerical integration of a time-dependent (TD) equation of motion (EOM), able to describe the evolution of the electronic system under the action of an external laser pulse based on TD-DFT. I wonder, based on this calculation, can we derive the redistribution of charge density and atomic positions and the evolution associated with electron dynamics? See https://www.nature.com/articles/srep14581 ( DOi: 10.1038/srep14581)
Thank You !
Electronic dynamics in YAMBO
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan, Nicola Spallanzani
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lz dong
- Posts: 9
- Joined: Mon Jun 12, 2023 7:26 am
Electronic dynamics in YAMBO
lz Dong
PhD student
Beijing Institute of Technology,China
PhD student
Beijing Institute of Technology,China
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Daniele Varsano
- Posts: 3979
- Joined: Tue Mar 17, 2009 2:23 pm
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Re: Electronic dynamics in YAMBO
Dear lz Dong,
the coupled electron and ion dymanics is in the development plan of Yambo, but it is not yet finalized and, at the moment, I cannot estimate when it will be realesed.
Many thanks for your interest,
Daniele
the coupled electron and ion dymanics is in the development plan of Yambo, but it is not yet finalized and, at the moment, I cannot estimate when it will be realesed.
Many thanks for your interest,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/