(1s 2 2s 2 2p 1 4d 1 ) 1 F P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
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 | 2.761132 | 1.51931308 |
| 2 | 4d | 2.486466 | -2.01549731 |
| 3 | 3d | 7.091707 | .02001947 |
| 4 | 5d | 9.654601 | -.00439030 |
| 5 | 4d | 38.855288 | .00003579 |
| 6 | 5d | 1.962152 | .00220461 |
| ORB.ENERGY,a.u. | -3.147500 | ||
| NORM | 1.000000 | < R > | 2.076620 | < R2 > | 4.941121 | < 1/R > | .637966 | < 1/R**2 > | .663661 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.171539 | 1.08293084 |
| 2 | 3p | 7.575776 | -.09859187 |
| 3 | 2p | 14.513389 | .01530291 |
| 4 | 5p | 16.736636 | .00245402 |
| 5 | 4p | 29.932476 | -.00056702 |
| 6 | 5p | 5.803723 | .00230177 |
| 7 | 5p | 91.486467 | -.00001093 |
| 8 | 4p | 2.903105 | .00143743 |
| ORB.ENERGY,a.u. | -16.904000 | ||
| NORM | 1.000000 | < R > | .396399 | < R2 > | .190278 | < 1/R > | 3.189364 | < 1/R**2 > | 13.766089 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.944199 | .37278276 |
| 2 | 2s | 5.666636 | -.80819503 |
| 3 | 3s | 8.197914 | -.28186092 |
| 4 | 4s | 28.141073 | .00132170 |
| 5 | 5s | 15.987112 | -.01085505 |
| 6 | 5s | 6.213851 | .01579996 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .456887 | < R2 > | .244288 | < 1/R > | 3.209484 | < 1/R**2 > | 41.667977 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.165590 | .93104832 |
| 2 | 1s | 21.898069 | .06855693 |
| 3 | 2s | 13.074261 | .01917861 |
| 4 | 3s | 16.081299 | -.01652173 |
| 5 | 4s | 73.796273 | -.00006479 |
| 6 | 5s | 34.550646 | .00078568 |
| 7 | 4s | 8.036001 | .00008699 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102969 | < R2 > | .014203 | < 1/R > | 14.648292 | < 1/R**2 > | 432.012050 |
Total Energy= -279.30446689 a.u.
Kinetic Energy= 279.24260793 a.u.
Potential Energy= -558.54707482 a.u.
Virial Ratio = -2.00022152