A Simple Approximation for the Pauli Potential Yielding Self-Consistent Electron Densities Exhibiting Proper Atomic Shell Structure

作者：Finzel Kati^*

来源：International Journal of Quantum Chemistry, 2015, 115(23): 1629-1634.

DOI：10.1002/qua.24986

• orbital-free density-functional theory
• atomic shell structure
• self-consistent electron densities
• Pauli potential
• shell structure-based functionals

A simple approximation for the Pauli potential for the groundstate of atomic systems is given, which in connection with Hohenberg-Kohn variational procedure yields self-consistent electron densities exhibiting proper atomic shell structure.

• 出版日期2015-12-5