(1s 2 2s 2 2p 1 4d 1 ) 1 F C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 4d- electron | |
| 1 | 3d | .205054 | 4.05612303 |
| 2 | 4d | .238396 | -4.60551826 |
| 3 | 3d | 3.756667 | .00062950 |
| 4 | 5d | 1.425334 | -.00408562 |
| 5 | 4d | 7.181435 | -.00045332 |
| 6 | 5d | .186117 | -.14235687 |
| 7 | 3d | .098188 | .03511166 |
| 8 | 5d | 10.021207 | .00019847 |
| 9 | 4d | .082969 | -.00735935 |
| ORB.ENERGY,a.u. | -.031013 | ||
| NORM | .999994 | < R > | 21.192786 | < R2 > | 512.852132 | < 1/R > | .061711 | < 1/R**2 > | .006047 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.580542 | .75761336 |
| 2 | 2p | 2.439647 | .28879306 |
| 3 | 2p | 6.581557 | .00999175 |
| 4 | 3p | 2.819354 | -.06270450 |
| 5 | 4p | 1.579313 | .05105911 |
| 6 | 4p | 10.260254 | -.00070765 |
| 7 | 5p | .716754 | -.00028416 |
| ORB.ENERGY,a.u. | -.786420 | ||
| NORM | 1.000000 | < R > | 1.470713 | < R2 > | 2.680815 | < 1/R > | .885796 | < 1/R**2 > | 1.104483 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.580091 | .24030805 |
| 2 | 2s | 1.552537 | -.76085534 |
| 3 | 3s | 2.861919 | -.27234774 |
| 4 | 4s | 11.715519 | .00196313 |
| 5 | 5s | 5.913015 | -.02900698 |
| 6 | 5s | 1.869301 | .02777104 |
| 7 | 2s | 39.464019 | -.00000299 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.475729 | < R2 > | 2.590224 | < 1/R > | .961054 | < 1/R**2 > | 3.715446 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.212964 | .71610885 |
| 2 | 1s | 8.200681 | .22614038 |
| 3 | 1s | 2.381004 | .00351771 |
| 4 | 2s | 6.450593 | .08053254 |
| 5 | 3s | 6.779778 | -.01401880 |
| 6 | 4s | 10.925744 | .00565163 |
| 7 | 5s | 42.338325 | -.00002668 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268104 | < R2 > | .096881 | < 1/R > | 5.668472 | < 1/R**2 > | 65.302264 |
Total Energy= -37.32407295 a.u.
Kinetic Energy= 37.32323636 a.u.
Potential Energy= -74.64730931 a.u.
Virial Ratio = -2.00002241