Electron density dictionary (rhoCIF) version 1.0.1
_atom_rho_multipole_valence_source
Name:'_atom_rho_multipole_valence_source'
Definition:
This item gives the source of the orbital exponents and expansion coefficients used to obtain the spherical valence density of the atom defined in _atom_rho_multipole_atom_label. Alternatively the valence density may be obtained as described in the _atom_rho_multipole_scat_valence item. Ref: Clementi, E. & Roetti, C. (1974). At. Data Nucl. Data Tables, 14, 177-478.Example:
; Clementi, E. & Roetti, C. (1974). At. Data Nucl. Data Tables, 14, 177-478. ; |
Appears in list containing _atom_rho_multipole_atom_label
Type: char
Category: atom_rho_multipole