(1s 2 2s 2 2p 1 3d 1 ) 3 D P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 3.493679 | .93887247 |
| 2 | 3d | 6.798498 | .03439906 |
| 3 | 4d | 3.043153 | .05267214 |
| 4 | 5d | 9.539645 | -.00220556 |
| 5 | 5d | 2.936591 | -.00943034 |
| 6 | 4d | 39.321493 | .00010891 |
| 7 | 5d | 54.867658 | -.00004612 |
| ORB.ENERGY,a.u. | -5.737700 | ||
| NORM | 1.000000 | < R > | 1.002901 | < R2 > | 1.156141 | < 1/R > | 1.172782 | < 1/R**2 > | 1.669754 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.144102 | 1.09102605 |
| 2 | 3p | 7.750481 | -.11462028 |
| 3 | 2p | 14.388964 | .01559609 |
| 4 | 5p | 13.490628 | .00816928 |
| 5 | 4p | 4.562935 | .00279455 |
| 6 | 5p | 20.327510 | .00346991 |
| 7 | 4p | 4.049020 | -.00209962 |
| ORB.ENERGY,a.u. | -16.456000 | ||
| NORM | 1.000000 | < R > | .397478 | < R2 > | .191267 | < 1/R > | 3.181100 | < 1/R**2 > | 13.700148 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.968252 | .37068686 |
| 2 | 2s | 5.639262 | -.80647972 |
| 3 | 3s | 8.229985 | -.28050771 |
| 4 | 4s | 28.383774 | .00119375 |
| 5 | 5s | 16.025409 | -.01130748 |
| 6 | 5s | 6.286698 | .01308986 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .458301 | < R2 > | .245999 | < 1/R > | 3.200087 | < 1/R**2 > | 41.446609 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.166051 | .93093089 |
| 2 | 1s | 21.878535 | .06869158 |
| 3 | 2s | 13.017573 | .01916673 |
| 4 | 3s | 16.049498 | -.01652419 |
| 5 | 4s | 74.207907 | -.00006339 |
| 6 | 5s | 34.550428 | .00079735 |
| 7 | 5s | 9.011476 | .00008011 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102968 | < R2 > | .014203 | < 1/R > | 14.648421 | < 1/R**2 > | 432.018843 |
Total Energy= -281.84662296 a.u.
Kinetic Energy= 281.83292553 a.u.
Potential Energy= -563.67954849 a.u.
Virial Ratio = -2.00004860