(1s 2 2s 2 2p 1 3d 1 ) 1 D N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 3d- electron | |
| 1 | 3d | .747729 | .84480757 |
| 2 | 4d | 15.238689 | .00002743 |
| 3 | 5d | .603922 | -.01235329 |
| 4 | 3d | 2.191964 | .04452613 |
| 5 | 4d | .660144 | .14338720 |
| 6 | 5d | 1.932571 | .02642557 |
| ORB.ENERGY,a.u. | -.236290 | ||
| NORM | 1.000000 | < R > | 4.772047 | < R2 > | 26.418337 | < 1/R > | .250448 | < 1/R**2 > | .078367 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.049586 | .81861891 |
| 2 | 2p | 3.449249 | .18750064 |
| 3 | 2p | 7.639104 | .01079457 |
| 4 | 3p | .779300 | .00159929 |
| 5 | 4p | 1.783778 | .02226385 |
| 6 | 4p | 12.453603 | -.00071920 |
| ORB.ENERGY,a.u. | -1.452200 | ||
| NORM | 1.000000 | < R > | 1.130996 | < R2 > | 1.578470 | < 1/R > | 1.143642 | < 1/R**2 > | 1.821806 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.381593 | .27024972 |
| 2 | 2s | 2.057040 | -.76549883 |
| 3 | 3s | 3.351142 | -.28408057 |
| 4 | 4s | 12.754038 | .00339990 |
| 5 | 5s | 6.542314 | -.02482784 |
| 6 | 5s | 4.791672 | .02140433 |
| 7 | 4s | 29.172035 | .00006242 |
| 8 | 4s | 2.303734 | .00895450 |
| 9 | 3s | .825561 | -.00043220 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.181292 | < R2 > | 1.651106 | < 1/R > | 1.209514 | < 1/R**2 > | 5.913605 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.269115 | .00611132 |
| 2 | 1s | 6.254954 | .70959237 |
| 3 | 1s | 9.332378 | .22633839 |
| 4 | 2s | 7.140184 | .08425176 |
| 5 | 3s | 7.696411 | -.01452708 |
| 6 | 4s | 12.777804 | .00521942 |
| 7 | 5s | 22.066014 | .00019497 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227656 | < R2 > | .069760 | < 1/R > | 6.664155 | < 1/R**2 > | 90.061481 |
Total Energy= -53.04492697 a.u.
Kinetic Energy= 53.05208727 a.u.
Potential Energy= -106.09701424 a.u.
Virial Ratio = -1.99986503