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
Silver; Ag  [Kr] 4d10 5s1
LDA LSD RLDA ScRLDA
Etot -5195.031215 -5195.037351 -5305.487822 -5304.298884
Ekin 5191.818600 5191.826711 5537.467641 5495.980760
Ecoul 2131.618463 2131.701991 2160.192112 2157.628228
Eenuc -12377.294484 -12377.383542 -12865.696462 -12820.702324
Exc -141.173794 -141.182511 -137.451114 -137.205548
1s -900.324578 -900.323018 -925.100814 -925.674173
-900.322342
2s -129.859807 -129.857873 -136.360076 -136.476376
-129.857927
2p -120.913351 -120.911471 -126.908805 -122.628414
-120.911414 -120.522583
3s -23.678437 -23.676747 -24.991112 -25.010846
-23.676394
3p -20.067630 -20.065928 -21.201871 -20.441965
-20.065596 -20.073878
3d -13.367803 -13.366019 -13.309422 -13.184815
-13.365839 -13.081156
4s -3.223090 -3.221445 -3.480046 -3.482162
-3.221253
4p -2.086602 -2.085232 -2.280871 -2.152005
-2.084523 -2.092419
4d -0.298706 -0.299962 -0.294880 -0.282334
-0.294005 -0.274268
5s -0.157407 -0.167365 -0.172527 -0.172492
-0.142816
Silver; Ag+  [Kr] 4d8
LDA LSD RLDA ScRLDA
Etot -5194.755725 -5194.755725 -5305.191208 -5304.002341
Ekin 5191.560699 5191.560699 5537.142540 5495.678426
Ecoul 2117.940487 2117.940487 2146.140018 2143.573484
Eenuc -12363.255355 -12363.255355 -12851.204480 -12806.230418
Exc -141.001556 -141.001556 -137.269286 -137.023834
1s -900.619298 -900.619298 -925.404420 -925.977570
-900.619298
2s -130.150963 -130.150963 -136.659014 -136.775336
-130.150963
2p -121.204744 -121.204744 -127.208076 -122.927619
-121.204744 -120.821742
3s -23.971060 -23.971060 -25.291531 -25.311338
-23.971060
3p -20.360220 -20.360220 -21.502242 -20.742439
-20.360220 -20.374293
3d -13.660016 -13.660016 -13.609394 -13.484877
-13.660016 -13.381150
4s -3.519438 -3.519438 -3.784263 -3.786467
-3.519438
4p -2.383685 -2.383685 -2.585905 -2.457382
-2.383685 -2.397825
4d -0.593717 -0.593717 -0.598153 -0.585481
-0.593717 -0.577176