(1s 2 2s 1 5d 1 ) 1 D N 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 5d- electron | |
| 1 | 3d | .927456 | 2.05131068 |
| 2 | 4d | .869105 | -4.91266927 |
| 3 | 5d | .779064 | 3.44192000 |
| 4 | 3d | 4.016606 | .00661283 |
| 5 | 4d | 1.673978 | .04047058 |
| 6 | 5d | 1.328421 | .11078156 |
| 7 | 4d | 9.365097 | -.00026495 |
| 8 | 5d | .649991 | -.06377067 |
| ORB.ENERGY,a.u. | -.319860 | ||
| NORM | 1.000000 | < R > | 8.616620 | < R2 > | 84.316982 | < 1/R > | .161323 | < 1/R**2 > | .053016 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.822309 | .35470228 |
| 2 | 2s | 2.679003 | -.87057037 |
| 3 | 3s | 3.197960 | -.24297958 |
| 4 | 4s | 7.721823 | .03431860 |
| 5 | 3s | 9.214735 | .01413193 |
| 6 | 5s | 3.222296 | -.00297255 |
| 7 | 4s | 2.436048 | -.00758207 |
| 8 | 5s | 15.519257 | .00115549 |
| 9 | 2s | 49.298153 | .00000477 |
| ORB.ENERGY,a.u. | -3.412400 | ||
| NORM | 1.000000 | < R > | 1.053400 | < R2 > | 1.294884 | < 1/R > | 1.368565 | < 1/R**2 > | 7.558075 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.272317 | .89180994 |
| 2 | 1s | 9.941787 | .11531502 |
| 3 | 2s | 3.865238 | .02319317 |
| 4 | 3s | 6.461684 | -.02412888 |
| 5 | 4s | 12.414037 | .00428195 |
| 6 | 5s | 5.536040 | -.00637120 |
| 7 | 5s | 43.122236 | -.00005714 |
| ORB.ENERGY,a.u. | -17.948000 |
| NORM | 1.000000 | < R > | .226943 | < R2 > | .069244 | < 1/R > | 6.678242 | < 1/R**2 > | 90.364707 |
Total Energy= -48.66758199 a.u.
Kinetic Energy= 48.64670181 a.u.
Potential Energy= -97.31428380 a.u.
Virial Ratio = -2.00042922