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physics.comp-ph2019
ELSI -- An Open Infrastructure for Electronic Structure Solvers
Victor Wen-zhe Yu, Carmen Campos, William Dawson +16
Routine applications of electronic structure theory to molecules and periodic systems need to compute the electron density from given Hamiltonian and, in case of non-orthogonal bas…
physics.comp-ph2018
Non-linear eigenvalue problems with GetDP and SLEPc: Eigenmode computations of frequency-dispersive photonic open structures
Guillaume Demésy, André Nicolet, Boris Gralak +3
We present a framework to solve non-linear eigenvalue problems suitable for a Finite Element discretization. The implementation is based on the open-source finite element software…