(1s 2 2s 2 2p 4 4d 1 ) 2 D P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 1.968784 | 1.44328777 |
| 2 | 4d | 1.754282 | -1.94942312 |
| 3 | 3d | 7.193370 | .01586403 |
| 4 | 4d | 4.721433 | .01832334 |
| 5 | 5d | 20.285324 | -.00009366 |
| ORB.ENERGY,a.u. | -1.558800 | ||
| NORM | 1.000000 | < R > | 2.930592 | < R2 > | 9.849494 | < 1/R > | .454262 | < 1/R**2 > | .341274 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.152513 | 1.17578958 |
| 2 | 3p | 5.995853 | -.24393232 |
| 3 | 2p | 11.612253 | .06514880 |
| 4 | 4p | 13.678943 | .01196892 |
| 5 | 5p | 2.365308 | .00036254 |
| 6 | 5p | 34.058833 | -.00015828 |
| ORB.ENERGY,a.u. | -10.765000 | ||
| NORM | 1.000000 | < R > | .440846 | < R2 > | .238505 | < 1/R > | 2.913771 | < 1/R**2 > | 11.700952 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.018571 | .38718597 |
| 2 | 2s | 6.266818 | -.84705456 |
| 3 | 3s | 5.692199 | -.29886374 |
| 4 | 4s | 16.285582 | .00825961 |
| 5 | 3s | 19.422263 | .00631665 |
| 6 | 5s | 28.580503 | .00094686 |
| 7 | 5s | 5.100574 | -.00445846 |
| 8 | 4s | 3.820532 | .00140521 |
| 9 | 3s | 44.021009 | -.00012060 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489740 | < R2 > | .282686 | < 1/R > | 2.982771 | < 1/R**2 > | 36.392544 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.210879 | .92279569 |
| 2 | 1s | 20.928633 | .07367420 |
| 3 | 2s | 8.782579 | .02035857 |
| 4 | 3s | 10.788352 | -.02029852 |
| 5 | 4s | 13.364192 | .00939345 |
| 6 | 5s | 35.965219 | .00085829 |
| 7 | 4s | 85.212893 | -.00003472 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103536 | < R2 > | .014395 | < 1/R > | 14.597100 | < 1/R**2 > | 429.674323 |
Total Energy= -318.28122267 a.u.
Kinetic Energy= 318.24660304 a.u.
Potential Energy= -636.52782570 a.u.
Virial Ratio = -2.00010878