Skip to main content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Atomic Reference Data for Electronic Structure Calculations, Palladium

Palladium

Key to notation
46 Pd [Kr] 4d10
EnergyLDALSDRLDAScRLDA
Etot =-4935.368406-4935.368406-5035.797726-5034.762697
Ekin =4932.2345164932.2345165245.9509285208.615789
Ecoul =2031.6458382031.6458382057.3105222054.981238
Eenuc =-11762.875805-11762.875805-12206.188696-12165.717343
Exc =-136.372955-136.372955-132.870481-132.642382
1s-860.134909-860.134909
-860.134909
-882.650191-883.175511
2s-123.105078-123.105078
-123.105078
-129.011482-129.116947
2p-114.408286-114.408286
-114.408286
-119.848810
-114.041863
-115.962602
3s-22.060898-22.060898
-22.060898
-23.249302-23.266796
3p-18.580798-18.580798
-18.580798
-19.605164
-18.592062
-18.923424
3d-12.132197-12.132197
-12.132197
-12.085637
-11.882662
-11.974563
4s-2.889173-2.889173
-2.889173
-3.126694-3.128465
4p-1.815215-1.815215
-1.815215
-1.995682
-1.831435
-1.883435
4d-0.160771-0.160771
-0.160771
-0.168447
-0.152335
-0.158507
46 Pd+ [Kr] 4d9
EnergyLDALSDRLDAScRLDA
Etot =-4935.018267-4935.023835-5035.452296-5034.417428
Ekin =4931.9115394931.9178385245.6408025208.302213
Ecoul =2012.5146752012.5380532038.4470712036.108621
Eenuc =-11743.433281-11743.461987-12187.023514-12146.539938
Exc =-136.011201-136.017740-132.516655-132.288323
1s-860.558354-860.557793
-860.557661
-883.067493-883.593044
2s-123.530879-123.533372
-123.527123
-129.431023-129.536680
2p-114.833819-114.835600
-114.830772
-120.268065
-114.461188
-116.382099
3s-22.486920-22.488485
-22.484192
-23.669198-23.686881
3p-19.006804-19.008535
-19.003904
-20.025041
-19.011959
-19.343504
3d-12.558310-12.560765
-12.554671
-12.505623
-12.302652
-12.394740
4s-3.311422-3.322873
-3.298724
-3.543933-3.545912
4p-2.234607-2.246176
-2.221813
-2.410596
-2.245360
-2.297900
4d-0.555050-0.565667
-0.543390
-0.558236
-0.540468
-0.547511

 

Created October 15, 2015, Updated April 19, 2017