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Towards a spin-adapted coupled-cluster theory for high-spin open-shell states

✍ Scribed by Heckert, Miriam; Heun, Oliver; Gauss, Jürgen; Szalay, Péter G.

Book ID
115524652
Publisher
American Institute of Physics
Year
2006
Tongue
English
Weight
461 KB
Volume
124
Category
Article
ISSN
0021-9606

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✍ R. Chaudhuri; B. Datta; K. Das; D. Mukherjee 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 953 KB

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