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
Indium; In  [Kr] 4d10 5s2 5p1
LDA LSD RLDA ScRLDA
Etot -5737.309064 -5737.313809 -5870.165899 -5868.610083
Ekin 5733.944120 5733.950328 6151.216822 6100.276039
Ecoul 2334.432447 2334.515886 2369.191647 2366.090371
Eenuc -13654.870647 -13654.958268 -14243.954925 -14188.640485
Exc -150.814984 -150.821755 -146.619443 -146.336008
1s -983.647445 -983.645885 -1013.478020 -1014.158195
-983.645444
2s -144.078357 -144.076648 -151.913035 -152.053919
-144.076536
2p -134.628845 -134.627214 -141.873435 -136.710712
-134.626943 -134.194416
3s -27.220600 -27.219024 -28.820727 -28.845851
-27.218673
3p -23.345778 -23.344217 -24.735818 -23.798803
-23.343834 -23.347867
3d -16.139823 -16.138233 -16.062048 -15.906974
-16.137907 -15.776264
4s -4.062639 -4.061280 -4.373328 -4.376509
-4.060576
4p -2.795832 -2.794566 -3.032017 -2.863935
-2.793684 -2.786227
4d -0.730481 -0.730118 -0.708225 -0.689460
-0.727450 -0.676442
5s -0.290497 -0.297732 -0.310718 -0.310881
-0.279535
5p -0.101782 -0.109434 -0.107222 -0.099178
-0.090401 -0.095610
Indium; In+  [Kr] 4d10 5s2
LDA LSD RLDA ScRLDA
Etot -5737.101461 -5737.101461 -5869.960112 -5868.404706
Ekin 5733.753634 5733.753634 6151.031572 6100.090338
Ecoul 2321.096294 2321.096294 2355.751087 2352.656905
Eenuc -13641.317213 -13641.317213 -14230.304070 -14174.996462
Exc -150.634176 -150.634176 -146.438701 -146.155487
1s -983.924901 -983.924901 -1013.757535 -1014.437547
-983.924901
2s -144.354301 -144.354301 -152.190962 -152.331694
-144.354301
2p -134.904998 -134.904998 -142.151631 -136.988709
-134.904998 -134.472549
3s -27.496401 -27.496401 -29.098531 -29.123508
-27.496401
3p -23.621599 -23.621599 -25.013645 -24.076479
-23.621599 -23.625688
3d -16.415572 -16.415572 -16.339779 -16.184559
-16.415572 -16.053995
4s -4.338471 -4.338471 -4.651254 -4.654287
-4.338471
4p -3.071699 -3.071699 -3.310020 -3.141815
-3.071699 -3.064266
4d -1.005437 -1.005437 -0.985393 -0.966425
-1.005437 -0.953503
5s -0.536302 -0.536302 -0.561227 -0.561320
-0.536302