[CP2K-user] [CP2K:16983] natural transition orbitals

Victor Volkov volkovskr at gmail.com
Mon May 16 07:29:32 UTC 2022


Good day.
Is it possible to ask CP2K, upon tddft,
to write cube files in hole-particle basis
according to 
DOI: 10.1098/rspa.1961.0175 
DOI: 10.1063/1.1558471
Thank you.
Victor

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