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Application of linear response function theory in a coupled-cluster framework

✍ Scribed by Adnan, S.S.Z.; Bhattacharya, S.; Mukherjee, D.


Book ID
118117581
Publisher
Taylor and Francis Group
Year
1980
Tongue
English
Weight
321 KB
Volume
39
Category
Article
ISSN
0026-8976

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πŸ“œ SIMILAR VOLUMES


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We developed in this article a spin-adapted formiilation of the coupled-cluster based linear response theory (CC-LRT) for computing double-ionization potentials (DIPs), which may be experimentally observed by Auger spectroscopy. CC-LRT is a multireference generalization of the CC theory where the en

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We report the lirst ab imtio molecular applications of our recenlly formulated linear respon.se theory in Ihe c~~uplcd-clus~~ rramework for calcula~ng mner and outer valence ionization potentials (IPs) The response model utilizes the coupled-cluslcr representation for Ihe ground smte q, and calculat