(1s 2 2s 2 2p 3 5d 1 ) 5 D S 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5252.
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 | 5d- electron | |
| 1 | 3d | 2.527938 | 1.12600046 |
| 2 | 4d | 1.861505 | -4.59600683 |
| 3 | 5d | 1.824353 | 4.21148837 |
| 4 | 3d | 5.747336 | .06080778 |
| 5 | 5d | 8.578389 | -.01051934 |
| 6 | 4d | 29.093664 | .00007791 |
| 7 | 5d | 1.479921 | -.02307849 |
| 8 | 4d | 70.896253 | .00000501 |
| ORB.ENERGY,a.u. | -1.679600 | ||
| NORM | .999998 | < R > | 3.682994 | < R2 > | 15.408981 | < 1/R > | .380713 | < 1/R**2 > | .308316 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.256783 | 1.29922814 |
| 2 | 3p | 7.991046 | -.37060293 |
| 3 | 4p | 9.785390 | .06789233 |
| 4 | 5p | 28.160232 | -.00196547 |
| 5 | 4p | 3.913697 | .00740709 |
| 6 | 4p | 36.792962 | -.00094980 |
| 7 | 5p | 3.952130 | -.00496628 |
| 8 | 3p | 2.177658 | .00072578 |
| 9 | 3p | 52.918363 | -.00007311 |
| ORB.ENERGY,a.u. | -16.103000 | ||
| NORM | 1.000000 | < R > | .389897 | < R2 > | .185134 | < 1/R > | 3.265370 | < 1/R**2 > | 14.549429 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.663164 | .41045628 |
| 2 | 2s | 6.876790 | -.86197940 |
| 3 | 3s | 6.628517 | -.28889877 |
| 4 | 4s | 27.036358 | .00204688 |
| 5 | 3s | 14.843955 | .01570981 |
| 6 | 5s | 6.710718 | -.01199537 |
| ORB.ENERGY,a.u. | -15.605000 | ||
| NORM | 1.000000 | < R > | .442801 | < R2 > | .230265 | < 1/R > | 3.307339 | < 1/R**2 > | 44.545219 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.176707 | .93715997 |
| 2 | 1s | 23.606831 | .06078767 |
| 3 | 2s | 13.675048 | .01848456 |
| 4 | 3s | 19.154980 | -.01478267 |
| 5 | 4s | 29.417560 | .00271712 |
| 6 | 5s | 54.923593 | .00008581 |
| 7 | 5s | 11.557638 | .00057337 |
| ORB.ENERGY,a.u. | -100.270000 |
| NORM | 1.000000 | < R > | .096733 | < R2 > | .012552 | < 1/R > | 15.608760 | < 1/R**2 > | 490.862352 |
Total Energy= -353.07382819 a.u.
Kinetic Energy= 353.08372974 a.u.
Potential Energy= -706.15755793 a.u.
Virial Ratio = -1.99997196