Dear Developers,
Is it possible to output the BSE exciton transition dipole when calculating the light absorption?
Thank you!
Hao Zhang
How to output the BSE exciton transiton dipole?
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
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plasmon
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- Location: Fudan University, Shanghai, China
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How to output the BSE exciton transiton dipole?
Dr. Hao Zhang
Department of Optical Science and Engineering, Fudan University,Shanghai 200433, China
http://homepage.fudan.edu.cn/zhanghao/
Department of Optical Science and Engineering, Fudan University,Shanghai 200433, China
http://homepage.fudan.edu.cn/zhanghao/
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Daniele Varsano
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Re: How to output the BSE exciton transiton dipole?
Dear Hao Zhang,
please have a look to this thread,
viewtopic.php?p=7783#p7783
you can find a python script to extract the transition dipoles. From the dipoles, you can then evaluate the BSE residuum by weighting them with the BSE eigenvalues contained in the strength output (to be normalized).
Best,
Daniele
please have a look to this thread,
viewtopic.php?p=7783#p7783
you can find a python script to extract the transition dipoles. From the dipoles, you can then evaluate the BSE residuum by weighting them with the BSE eigenvalues contained in the strength output (to be normalized).
Best,
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/