(1s 2 5d 1 ) 2 D N 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 1.002176 | 3.52337259 |
| 2 | 4d | 1.001506 | -8.78176379 |
| 3 | 5d | 1.000452 | 5.95239073 |
| 4 | 3d | 7.339789 | .00044528 |
| 5 | 5d | 4.983045 | .00059577 |
| ORB.ENERGY,a.u. | -.500260 | ||
| NORM | 1.000003 | < R > | 6.895883 | < R2 > | 53.939025 | < 1/R > | .200236 | < 1/R**2 > | .080359 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.262364 | .70806461 |
| 2 | 1s | 9.245030 | .23305017 |
| 3 | 2s | 7.095697 | .08398494 |
| 4 | 3s | 7.240099 | -.01438529 |
| 5 | 4s | 12.602651 | .00500713 |
| 6 | 5s | 52.719022 | -.00002171 |
| 7 | 5s | 7.051846 | -.00044452 |
| ORB.ENERGY,a.u. | -20.024000 |
| NORM | 1.000000 | < R > | .226475 | < R2 > | .068889 | < 1/R > | 6.687416 | < 1/R**2 > | 90.567296 |
Total Energy= -45.23770222 a.u.
Kinetic Energy= 45.23640436 a.u.
Potential Energy= -90.47410658 a.u.
Virial Ratio = -2.00002869