(1s 2 2s 1 4d 1 ) 1 D B +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | .518179 | 1.77208178 |
| 2 | 4d | .491819 | -2.32708696 |
| 3 | 5d | 1.019566 | .02494738 |
| 4 | 4d | 3.515130 | .00395812 |
| 5 | 4d | 8.551529 | .00020740 |
| 6 | 5d | .449154 | .03511641 |
| 7 | 3d | 14.211240 | .00001354 |
| ORB.ENERGY,a.u. | -.124240 | ||
| NORM | 1.000000 | < R > | 10.565282 | < R2 > | 127.618391 | < 1/R > | .124420 | < 1/R**2 > | .024891 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 4.467142 | .27567199 |
| 2 | 2s | 1.585865 | -.77286096 |
| 3 | 3s | 2.256708 | -.29337674 |
| 4 | 4s | 5.611362 | .01901103 |
| 5 | 3s | 6.002668 | .01897674 |
| 6 | 5s | 1.035044 | -.00191951 |
| 7 | 4s | 1.231944 | .00717829 |
| 8 | 5s | 22.509184 | -.00010216 |
| 9 | 2s | 36.458720 | .00000757 |
| ORB.ENERGY,a.u. | -1.331500 | ||
| NORM | 1.000000 | < R > | 1.636021 | < R2 > | 3.127194 | < 1/R > | .863489 | < 1/R**2 > | 2.983786 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.330779 | .88187260 |
| 2 | 1s | 7.211627 | .12824289 |
| 3 | 2s | 2.955182 | .01653566 |
| 4 | 3s | 3.960998 | -.02962892 |
| 5 | 4s | 4.498959 | .00879639 |
| 6 | 5s | 11.395383 | .00269907 |
| 7 | 5s | 36.888376 | -.00006200 |
| 8 | 5s | 1.885590 | .00020860 |
| ORB.ENERGY,a.u. | -7.998900 |
| NORM | 1.000000 | < R > | .325214 | < R2 > | .142680 | < 1/R > | 4.680569 | < 1/R**2 > | 44.631953 |
Total Energy= -23.51264549 a.u.
Kinetic Energy= 23.50023088 a.u.
Potential Energy= -47.01287637 a.u.
Virial Ratio = -2.00052828