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
Tin; [Kr] 4d10 5s2 5p2  50Sn[Kr] 4d10 5s2 5p2
LDA LSD RLDA ScRLDA
Etot -6019.953353 -6019.972345 -6165.265632 -6163.492534
Ekin 6016.512431 6016.536637 6473.774440 6417.478715
Ecoul 2438.225987 2438.471160 2476.231135 2472.824352
Eenuc -14319.014475 -14319.277472 -14964.044067 -14902.872335
Exc -155.677296 -155.702670 -151.227140 -150.923266
1s -1026.762169 -1026.757550 -1059.406319 -1060.145644
-1026.756295
2s -151.523991 -151.519055 -160.105749 -160.260500
-151.518556
2p -141.821093 -141.816346 -149.766139 -144.111626
-141.815449 -141.368700
3s -29.125969 -29.121399 -30.891860 -30.920177
-29.120303
3p -25.117913 -25.113387 -26.656377 -25.619497
-25.112196 -25.122080
3d -17.657276 -17.652681 -17.573124 -17.400975
-17.651615 -17.254826
4s -4.546335 -4.542607 -4.892751 -4.896669
-4.540200
4p -3.211998 -3.208499 -3.477532 -3.286467
-3.205664 -3.198057
4d -1.004952 -1.003200 -0.976190 -0.953808
-0.996903 -0.937712
5s -0.369349 -0.382894 -0.395936 -0.396243
-0.344764
5p -0.144450 -0.158298 -0.153892 -0.142153
-0.120154 -0.136895
Tin; Sn+  [Kr] 4d10 5s2 5p1
LDA LSD RLDA ScRLDA
Etot -6019.690952 -6019.697098 -6165.004519 -6163.231923
Ekin 6016.269330 6016.277186 6473.534757 6417.239488
Ecoul 2423.723365 2423.774975 2461.629379 2458.229132
Eenuc -14304.219171 -14304.277136 -14949.154396 -14887.989970
Exc -155.464476 -155.472123 -151.014260 -150.710573
1s -1027.058821 -1027.058072 -1059.704914 -1060.444077
-1027.057277
2s -151.819114 -151.818139 -160.402748 -160.557355
-151.817819
2p -142.116430 -142.115579 -150.063409 -144.408702
-142.115007 -141.665903
3s -29.420760 -29.419999 -31.188544 -31.216726
-29.419302
3p -25.412732 -25.412000 -26.953092 -25.916066
-25.411242 -25.418779
3d -17.952052 -17.951277 -17.869764 -17.697479
-17.950599 -17.551462
4s -4.840552 -4.840283 -5.188963 -5.192747
-4.838746
4p -3.506142 -3.506017 -3.773712 -3.582496
-3.504204 -3.494210
4d -1.298071 -1.299029 -1.271323 -1.248754
-1.295045 -1.232740
5s -0.634789 -0.645119 -0.665778 -0.666049
-0.621410
5p -0.387411 -0.398124 -0.401486 -0.386507
-0.373385 -0.379742