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GitHub topics: atomic-calculation

rsfem/rsfem

rsFEM is a software suite for aspherical atomic calculations based on a hybrid Finite Element (radial) / Multipole Expansion (spherical) discretization.

Language: MATLAB - Size: 97.7 KB - Last synced: over 1 year ago - Pushed: over 1 year ago - Stars: 0 - Forks: 0

Related Keywords
all-electron 1 aspherical-solution 1 atomic-calculation 1 density-functional-theory 1 finite-element-method 1 kohn-sham-dft 1 multipole-expansion 1 pseudopotential 1 schrodinger-equation 1