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Atomic Reference Data |
Palladium |
Key to notation ASCII text |
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| 46 Pd [Kr] 4d10 | ||||
| Energy | LDA | LSD | RLDA | ScRLDA |
|---|---|---|---|---|
| Etot = | -4935.368406 | -4935.368406 | -5035.797726 | -5034.762697 |
| Ekin = | 4932.234516 | 4932.234516 | 5245.950928 | 5208.615789 |
| Ecoul = | 2031.645838 | 2031.645838 | 2057.310522 | 2054.981238 |
| 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 | ||||
| Energy | LDA | LSD | RLDA | ScRLDA |
| Etot = | -4935.018267 | -4935.023835 | -5035.452296 | -5034.417428 |
| Ekin = | 4931.911539 | 4931.917838 | 5245.640802 | 5208.302213 |
| Ecoul = | 2012.514675 | 2012.538053 | 2038.447071 | 2036.108621 |
| 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 |
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