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Closed-shell coupled-cluster theory with spin-orbit coupling

✍ Scribed by Wang, Fan; Gauss, Jürgen; van Wüllen, Christoph


Book ID
118735218
Publisher
American Institute of Physics
Year
2008
Tongue
English
Weight
395 KB
Volume
129
Category
Article
ISSN
0021-9606

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Relativistic coupled-cluster calculation
✍ Ephraim Ilyabaev; Uzi Kaldor 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 353 KB

Relativistic coupled-cluster calculations including single and double excitations are reported for the ground states of He, Be, Ne and Ar. The no-pair Dirac-Coulomb Hamiltonian is taken as the starting point. The reference state of the single determinant Dirac-Fock wavefunction is calculated in a ba