qimpy.math.spherical_harmonics

Calculate spherical harmonics and their product expansions.

Module Attributes

L_MAX

Maximum l for calculation of harmonics

L_MAX_HLF

Maximum l of harmonics in products

Functions

get_harmonics

Compute real solid harmonics \(r^l Y_{lm}(r)\) for each l <= l_max.

get_harmonics_and_prime

Compute real solid harmonics \(r^l Y_{lm}(r)\) for each l <= l_max.

get_harmonics_tilde

Same as get_harmonics(), but in reciprocal space.

get_harmonics_tilde_and_prime

Same as get_harmonics_and_prime(), but in reciprocal space.