atomic shell structure Recently Published Documents

About the atomic shell structure in real space and the Pauli exclusion principle

10.1007/s00214-016-1907-8 ◽

2016 ◽

Vol 135 (6) ◽

Cited By ~ 5

Author(s):

K. Finzel

Keyword(s):

Shell Structure ◽

Pauli Exclusion Principle ◽

Real Space ◽

Exclusion Principle ◽

Atomic Shell ◽

Reinvestigation of the ideal atomic shell structure and its application in orbital-free density functional theory

10.1007/s00214-016-1850-8 ◽

2016 ◽

Vol 135 (4) ◽

Cited By ~ 18

Author(s):

K. Finzel

Keyword(s):

Density Functional Theory ◽

Shell Structure ◽

Density Functional ◽

Atomic Shell ◽

Functional Theory ◽

Atomic Shell Structure ◽

Orbital Free ◽

The Ideal

Local conditions for the Pauli potential in order to yield self-consistent electron densities exhibiting proper atomic shell structure

The Journal of Chemical Physics ◽

10.1063/1.4940035 ◽

2016 ◽

Vol 144 (3) ◽

pp. 034108 ◽

Cited By ~ 26

Author(s):

Kati Finzel

Keyword(s):

Shell Structure ◽

Atomic Shell ◽

Electron Densities ◽

Local Conditions ◽

Pauli Potential ◽

Self Consistent ◽

Atomic shell structure determined by the curvature of the electron position uncertainty

Molecular Physics ◽

10.1080/00268976.2015.1114164 ◽

2015 ◽

Vol 114 (7-8) ◽

pp. 1297-1303 ◽

Cited By ~ 3

Author(s):

Miroslav Kohout

Keyword(s):

Shell Structure ◽

Atomic Shell ◽

Position Uncertainty ◽

A simple approximation for the Pauli potential yielding self-consistent electron densities exhibiting proper atomic shell structure

International Journal of Quantum Chemistry ◽

10.1002/qua.24986 ◽

2015 ◽

Vol 115 (23) ◽

pp. 1629-1634 ◽

Cited By ~ 18

Author(s):

Kati Finzel

Keyword(s):

Shell Structure ◽

Simple Approximation ◽

Atomic Shell ◽

Electron Densities ◽

Pauli Potential ◽

Self Consistent ◽

ELF and its relatives-A detailed study about the robustness of the atomic shell structure in real space

International Journal of Quantum Chemistry ◽

10.1002/qua.24724 ◽

2014 ◽

Vol 114 (22) ◽

pp. 1546-1558 ◽

Cited By ~ 12

Author(s):

Kati Finzel

Keyword(s):

Shell Structure ◽

Real Space ◽

Atomic Shell ◽

Atomic shell structure from the Single-Exponential Decay Detector

The Journal of Chemical Physics ◽

10.1063/1.4871501 ◽

2014 ◽

Vol 140 (16) ◽

pp. 164301 ◽

Cited By ~ 18

Author(s):

Piotr de Silva ◽

Jacek Korchowiec ◽

Tomasz A. Wesolowski

Keyword(s):

Exponential Decay ◽

Shell Structure ◽

Atomic Shell ◽

Atomic Shell Structure ◽

Single Exponential

How does the ambiguity of the electronic stress tensor influence its ability to reveal the atomic shell structure

10.1007/s00214-013-1392-2 ◽

2013 ◽

Vol 132 (11) ◽

Cited By ~ 20

Author(s):

K. Finzel ◽

M. Kohout

Keyword(s):

Stress Tensor ◽

Shell Structure ◽

Atomic Shell ◽

Atomic shell structure based on inhomogeneity measures of the electron density

10.1007/s00214-010-0745-3 ◽

2010 ◽

Vol 128 (1) ◽

pp. 39-46 ◽

Cited By ~ 19

Author(s):

K. Wagner ◽

M. Kohout

Keyword(s):

Electron Density ◽

Shell Structure ◽

Atomic Shell ◽