Properties | More Info | Isotopes | Spectra
Compounds | Reactions | Production
Atomic: M.A.C. | Reference
Diagrams: Shell | Atomic Radius | Electron || Images
Atomic Reference Data for Electronic Structure Calculations
Fluorine; F  [He] 2s2 2p5
LDA LSD RLDA ScRLDA
Etot -99.099648 -99.114192 -99.162239 -99.162225
Ekin 98.676131 98.692500 98.864327 98.849634
Ecoul 49.535385 49.553571 49.562929 49.560919
Eenuc -237.688846 -237.720045 -237.989645 -237.973450
Exc -9.622319 -9.640218 -9.599851 -9.599327
1s -24.189391 -24.200831 -24.192324 -24.193118
-24.170085
2s -1.086859 -1.114068 -1.088810 -1.088847
-1.054122
2p -0.415606 -0.442152 -0.416805 -0.415272
-0.383951 -0.414456
Fluorine; F+  [He] 2s2 2p4
LDA LSD RLDA ScRLDA
Etot -98.380295 -98.450427 -98.443294 -98.443282
Ekin 97.990792 98.069428 98.180205 98.165158
Ecoul 43.744989 43.820726 43.773036 43.770861
Eenuc -231.005832 -231.147271 -231.308592 -231.291912
Exc -9.110244 -9.193310 -9.087942 -9.087388
1s -24.951082 -24.967955 -24.953793 -24.954621
-24.898525
2s -1.727119 -1.782734 -1.729203 -1.729258
-1.644718
2p -1.046454 -1.103542 -1.047862 -1.046083
-0.962580 -1.045111