Abstract
It is shown that the form of the Laplacian of the charge density provides a more complete resolution of the shell structure of atoms than the radial density function. The complete shell structure is resolved for s-block and most p-block atoms, but only the inner shells are resolved in the d-block elements. The shell structures revealed by the Laplacian of the charge density and the radial density function parallel one another where direct comparison is possible.
Keywords
Charge densityShell (structure)Laplace operatorBlock (permutation group theory)Charge (physics)Molecular physicsChemistryAtomic physicsPhysicsMaterials scienceGeometryMathematicsQuantum mechanics
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Publication Info
- Year
- 1988
- Type
- article
- Volume
- 88
- Issue
- 7
- Pages
- 4375-4377
- Citations
- 140
- Access
- Closed
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Cite This
Zheng Shi,
Russell J. Boyd
(1988).
The shell structure of atoms and the Laplacian of the charge density.
The Journal of Chemical Physics
, 88
(7)
, 4375-4377.
https://doi.org/10.1063/1.454711
Identifiers
- DOI
- 10.1063/1.454711