multipole-expansion

There are 0 repository under multipole-expansion topic.

QuantumDynamicsLab / PES2MP
PES2MP: Get radial coefficients from PES via multipole expansion
astrochemistry potential-energy-surface molscat chemical-physics collision computational-chemistry curve-fitting scattering supervised-machine-learning theoretical-chemistry legendre-polynomials multipole multipole-expansion spherical-harmonics
Language:Jupyter Notebook 0
rsfem / rsfem
rsFEM is a software suite for aspherical atomic calculations based on a hybrid Finite Element (radial) / Multipole Expansion (spherical) discretization.
finite-element-method kohn-sham-dft multipole-expansion all-electron aspherical-solution atomic-calculation pseudopotential schrodinger-equation density-functional-theory
Language:MATLAB 0