We present an outline of the parallel implementation of our pseudospectral electronic structure program, Jaguar, including the algorithm and timings for the HartreeαFock and analytic gradient portions of the program. We also present the parallel algorithm and timings for our Lanczos eigenvector refi
Correlated hartree-fock electronic structure of ZnO and ZnS
β Scribed by J.E. Jaffe; Ravindra Pandey; A.B. Kunz
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 695 KB
- Volume
- 52
- Category
- Article
- ISSN
- 0022-3697
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