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Atomic Reference Data
for Electronic Structure Calculations

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49   In   [Kr] 4d10 5s2 5p1
Energy   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
-983.645444		 -1013.478020 -1014.158195
2s -144.078357 -144.076648
-144.076536		 -151.913035 -152.053919
2p -134.628845 -134.627214
-134.626943		 -141.873435
-134.194416		 -136.710712
3s -27.220600 -27.219024
-27.218673		 -28.820727 -28.845851
3p -23.345778 -23.344217
-23.343834		 -24.735818
-23.347867		 -23.798803
3d -16.139823 -16.138233
-16.137907		 -16.062048
-15.776264		 -15.906974
4s -4.062639 -4.061280
-4.060576		 -4.373328 -4.376509
4p -2.795832 -2.794566
-2.793684		 -3.032017
-2.786227		 -2.863935
4d -0.730481 -0.730118
-0.727450		 -0.708225
-0.676442		 -0.689460
5s -0.290497 -0.297732
-0.279535		 -0.310718 -0.310881
5p -0.101782 -0.109434
-0.090401		 -0.107222
-0.095610		 -0.099178


49   In+   [Kr] 4d10 5s2
Energy   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
-983.924901		 -1013.757535 -1014.437547
2s -144.354301 -144.354301
-144.354301		 -152.190962 -152.331694
2p -134.904998 -134.904998
-134.904998		 -142.151631
-134.472549		 -136.988709
3s -27.496401 -27.496401
-27.496401		 -29.098531 -29.123508
3p -23.621599 -23.621599
-23.621599		 -25.013645
-23.625688		 -24.076479
3d -16.415572 -16.415572
-16.415572		 -16.339779
-16.053995		 -16.184559
4s -4.338471 -4.338471
-4.338471		 -4.651254 -4.654287
4p -3.071699 -3.071699
-3.071699		 -3.310020
-3.064266		 -3.141815
4d -1.005437 -1.005437
-1.005437		 -0.985393
-0.953503		 -0.966425
5s -0.536302 -0.536302
-0.536302		 -0.561227 -0.561320
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