Solution of Schrödinger’s equation for large systems
Iterative diagonalization of the Hamiltonian matrix is required to solve very large electronic-structure problems. Present algorithms are limited in their convergence rates at l...
Publications
View AllExtended norm-conserving pseudopotentials
Atomic pseudopotentials simplify electronic calculations by eliminating atomic core levels and the potentials that bind them. Outside some core radius, norm-conserving pseudopot...
Institution Info
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- archive
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- US
- Publications
- 2
- Citations
- 1,218
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- ROR
- https://ror.org/03b6wj477