(1s 2 2s 2 2p 3 4d 1 ) 5 D O 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5242.
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 | .290143 | 1.38776072 |
| 2 | 4d | .246901 | -1.83439170 |
| 3 | 3d | 1.613812 | .00768297 |
| 4 | 5d | .601188 | -.02884177 |
| 5 | 4d | 4.606823 | .00209488 |
| 6 | 5d | 6.158624 | -.00098495 |
| 7 | 3d | 16.626520 | .00000551 |
| ORB.ENERGY,a.u. | -.031473 | ||
| NORM | .999995 | < R > | 20.782738 | < R2 > | 494.712831 | < 1/R > | .063792 | < 1/R**2 > | .006714 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.019604 | .72052078 |
| 2 | 2p | 3.530007 | .28819607 |
| 3 | 2p | 7.597547 | .02033426 |
| 4 | 3p | 1.132515 | -.00392802 |
| 5 | 4p | 1.753762 | .03194644 |
| 6 | 5p | 9.690273 | .00383383 |
| 7 | 5p | .904951 | .00033051 |
| ORB.ENERGY,a.u. | -1.173400 | ||
| NORM | 1.000000 | < R > | 1.077999 | < R2 > | 1.460686 | < 1/R > | 1.225606 | < 1/R**2 > | 2.139908 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.734957 | .29209282 |
| 2 | 2s | 2.837826 | -.83221500 |
| 3 | 3s | 2.162274 | -.30045765 |
| 4 | 3s | 9.209886 | .01515235 |
| 5 | 4s | 9.522519 | .00779373 |
| 6 | 5s | 2.177444 | .03194564 |
| 7 | 5s | 36.814012 | -.00005355 |
| 8 | 4s | 1.589226 | -.01416711 |
| 9 | 3s | 1.020002 | .00249631 |
| 10 | 2s | 51.225414 | .00000648 |
| ORB.ENERGY,a.u. | -.991290 | ||
| NORM | 1.000000 | < R > | 1.089311 | < R2 > | 1.421353 | < 1/R > | 1.319810 | < 1/R**2 > | 7.126753 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.128426 | .84548601 |
| 2 | 1s | 10.485128 | .16172953 |
| 3 | 2s | 6.666876 | -.00600005 |
| 4 | 3s | 4.704921 | .00356753 |
| 5 | 4s | 15.331660 | .00444168 |
| 6 | 5s | 2.448951 | .00009816 |
| ORB.ENERGY,a.u. | -19.982000 |
| NORM | 1.000000 | < R > | .198487 | < R2 > | .053072 | < 1/R > | 7.644331 | < 1/R**2 > | 118.431047 |
Total Energy= -74.40441154 a.u.
Kinetic Energy= 74.40408280 a.u.
Potential Energy= -148.80849435 a.u.
Virial Ratio = -2.00000442