(1s 2 2s 2 2p 2 3d 1 ) 4 P P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4132.
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 | 3.102122 | 1.07731318 |
| 2 | 3d | 7.249981 | .02545258 |
| 3 | 4d | 3.667013 | -.09267618 |
| 4 | 5d | 17.940254 | -.00019710 |
| 5 | 4d | 44.672900 | .00001551 |
| ORB.ENERGY,a.u. | -4.666800 | ||
| NORM | 1.000000 | < R > | 1.105525 | < R2 > | 1.407019 | < 1/R > | 1.066519 | < 1/R**2 > | 1.386301 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.803890 | 1.16208767 |
| 2 | 3p | 6.885039 | -.18389440 |
| 3 | 2p | 14.558862 | .01908073 |
| 4 | 4p | 16.635846 | .00484187 |
| 5 | 5p | 27.987612 | -.00058455 |
| 6 | 5p | 3.677864 | -.00020459 |
| 7 | 4p | 83.004304 | .00000995 |
| ORB.ENERGY,a.u. | -14.449000 | ||
| NORM | 1.000000 | < R > | .410363 | < R2 > | .204657 | < 1/R > | 3.094873 | < 1/R**2 > | 13.032821 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.922723 | .41060446 |
| 2 | 2s | 6.447963 | -.85382980 |
| 3 | 3s | 6.571765 | -.28077260 |
| 4 | 4s | 24.850397 | .00220539 |
| 5 | 3s | 14.304576 | .01613000 |
| 6 | 5s | 6.434311 | -.02800847 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .468675 | < R2 > | .257783 | < 1/R > | 3.124731 | < 1/R**2 > | 39.666884 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.110345 | .92170537 |
| 2 | 1s | 21.588357 | .07719416 |
| 3 | 2s | 13.468176 | .01932100 |
| 4 | 3s | 16.733128 | -.01553564 |
| 5 | 5s | 35.663244 | .00099094 |
| 6 | 4s | 86.700513 | -.00003343 |
| 7 | 5s | 11.459485 | .00053381 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103183 | < R2 > | .014275 | < 1/R > | 14.628694 | < 1/R**2 > | 431.114232 |
Total Energy= -296.38542316 a.u.
Kinetic Energy= 296.36201338 a.u.
Potential Energy= -592.74743654 a.u.
Virial Ratio = -2.00007899