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
Potassium; K  [Ar] 4s1
LDA LSD RLDA ScRLDA
Etot -598.200590 -598.206032 -600.211193 -600.208027
Ekin 597.172130 597.179968 603.251432 602.687891
Ecoul 257.381524 257.437000 258.181811 258.123548
Eenuc -1421.104115 -1421.164934 -1430.221810 -1429.606938
Exc -31.650129 -31.658067 -31.422626 -31.412527
1s -128.414957 -128.412121 -128.777290 -128.794320
-128.411524
2s -12.839001 -12.836233 -12.925726 -12.927874
-12.835619
2p -10.283851 -10.281051 -10.353198 -10.284902
-10.280487 -10.247484
3s -1.281897 -1.279838 -1.291541 -1.291669
-1.278173
3p -0.693776 -0.692217 -0.699110 -0.692545
-0.689575 -0.689160
4s -0.088815 -0.096201 -0.089121 -0.089123
-0.074380
Potassium; K+  [Ne] 3s2 3p6
LDA LSD RLDA ScRLDA
Etot -598.039506 -598.039506 -600.049489 -600.046323
Ekin 597.022039 597.022039 603.099500 602.536600
Ecoul 253.198619 253.198619 253.985580 253.927277
Eenuc -1416.720316 -1416.720316 -1425.822605 -1425.208322
Exc -31.539848 -31.539848 -31.311963 -31.301877
1s -128.642952 -128.642952 -129.006055 -129.023072
-128.642952
2s -13.066726 -13.066726 -13.154174 -13.156324
-13.066726
2p -10.511548 -10.511548 -10.581613 -10.513318
-10.511548 -10.475897
3s -1.508080 -1.508080 -1.518463 -1.518596
-1.508080
3p -0.918369 -0.918369 -0.924457 -0.917842
-0.918369 -0.914422