Nuclear potential update: added support for quadrupole deformation and reading custom nuclear potentials - Githubissues

benroberts999 / ampsci

A c++ program for high-precision atomic structure calculations of one and two valence systems. Uses Hartree-Fock + correlation potential method. Can calculate ionisation cross sections with large of energy/momentum transfer.

https://ampsci.dev

MIT License

16 stars 6 forks source link

Nuclear potential update: added support for quadrupole deformation and reading custom nuclear potentials #43

Closed zacharysh closed 1 day ago

zacharysh commented 1 week ago

5256983: Read in a potential from a user-specified text file

Notes:

Specify using Nuclear::ChargeDistro::custom.
File is read in using Nuclear::readCustomNuclearPotential.
Expects a single-column text file with values corresponding to nuclear potential evaluated on the same grid that will be used to solve wavefunctions.

3b908e0: Evaluate fermi nuclear potential with effective skin-thickness induced by quadrupole deformation.

Notes:

See Eq. 8 of https://doi.org/10.1103/PhysRevA.100.032511.

zacharysh commented 1 week ago

Re. 5256983: Actually, would be far better to relax condition that the custom nucleus is given on the same radial grid, and instead make use of Interpolator::interpolate? Will investigate further.