Application of linear response function theory in a coupled-cluster framework
β 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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π SIMILAR VOLUMES
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
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