(1s 2 2s 2 2p 4 4d 1 ) 4 P P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4142.
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 | 2.060866 | 1.22779347 |
| 2 | 4d | 1.772777 | -1.77070765 |
| 3 | 3d | 6.390966 | .03859566 |
| 4 | 4d | 4.581944 | .04175954 |
| 5 | 5d | 20.879531 | -.00011511 |
| ORB.ENERGY,a.u. | -1.590700 | ||
| NORM | 1.000000 | < R > | 2.854199 | < R2 > | 9.365056 | < 1/R > | .472081 | < 1/R**2 > | .379611 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.139403 | 1.17742110 |
| 2 | 3p | 5.986385 | -.24713900 |
| 3 | 2p | 11.580055 | .06618915 |
| 4 | 4p | 13.553527 | .01269638 |
| 5 | 5p | 34.554877 | -.00012157 |
| 6 | 5p | 2.050923 | -.00020066 |
| ORB.ENERGY,a.u. | -10.797000 | ||
| NORM | 1.000000 | < R > | .441316 | < R2 > | .239064 | < 1/R > | 2.911442 | < 1/R**2 > | 11.685329 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.018533 | .38715526 |
| 2 | 2s | 6.266286 | -.84716618 |
| 3 | 3s | 5.688863 | -.29873800 |
| 4 | 4s | 16.352280 | .00821764 |
| 5 | 3s | 19.418033 | .00626991 |
| 6 | 5s | 28.749191 | .00092569 |
| 7 | 5s | 5.109092 | -.00434267 |
| 8 | 4s | 3.816875 | .00138039 |
| 9 | 3s | 44.396376 | -.00011503 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489781 | < R2 > | .282739 | < 1/R > | 2.982528 | < 1/R**2 > | 36.386824 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.211053 | .92279164 |
| 2 | 1s | 20.927760 | .07367604 |
| 3 | 2s | 8.784863 | .02035354 |
| 4 | 3s | 10.790326 | -.02029486 |
| 5 | 4s | 13.365041 | .00939151 |
| 6 | 5s | 35.977624 | .00086076 |
| 7 | 4s | 85.261319 | -.00003461 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103535 | < R2 > | .014395 | < 1/R > | 14.597221 | < 1/R**2 > | 429.679987 |
Total Energy= -318.28469522 a.u.
Kinetic Energy= 318.27863175 a.u.
Potential Energy= -636.56332696 a.u.
Virial Ratio = -2.00001905