Browsing NTNU Open by Author "Stakvik, Linda"
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Using Localized Molecular Orbitals in the Multi-level Coupled Cluster Approach
Stakvik, Linda (Master thesis, 2016)In multi-level coupled cluster theory local orbitals have traditionally been generated us- ing Cholesky decomposition of the Hartree-Fock density matrix. Orbitals obtained through Cholesky decomposition are not very local ...