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- URN to cite this document:
- urn:nbn:de:bvb:355-epub-341923
- DOI to cite this document:
- 10.5283/epub.34192
Alternative links to fulltext:DOI
Abstract
CRYSCOR is a periodic post-Hartree-Fock program based on local functions in direct space, i.e., Wannier functions and projected atomic orbitals. It uses atom centered Gaussians as basis functions. The Hartree-Fock reference, as well as symmetry information, is provided by the CRYSTAL program. CRYSCOR presently features an efficient and parallel implementation of periodic local second order ...
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