Skip to content

Atomic densities from Slater's rules #87

@susilehtola

Description

@susilehtola

Slater's rules offer a simple way to compute somewhat realistic atomic electron densities. They are also used in the formation of some quadrature grids. The rules used in Molpro have been summarized in J. Chem. Phys. 149, 044103 (2018); in addition, one needs to assign formal occupations to the orbitals.

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions