(1s 2 2s 2 2p 1 3d 1 ) 1 F N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1332.
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 | .648095 | .99043059 |
| 2 | 4d | .994209 | .02947367 |
| 3 | 3d | 2.975319 | .00544744 |
| 4 | 5d | .669097 | -.02460663 |
| 5 | 5d | 8.489272 | -.00012178 |
| ORB.ENERGY,a.u. | -.220130 | ||
| NORM | 1.000000 | < R > | 5.308101 | < R2 > | 32.180079 | < 1/R > | .219809 | < 1/R**2 > | .058145 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.061329 | .84184297 |
| 2 | 2p | 3.522939 | .17727906 |
| 3 | 2p | 7.863056 | .00964543 |
| 4 | 3p | 1.169564 | -.02055208 |
| 5 | 4p | 1.626942 | .02279929 |
| 6 | 4p | 12.037908 | -.00066340 |
| ORB.ENERGY,a.u. | -1.436100 | ||
| NORM | 1.000000 | < R > | 1.114721 | < R2 > | 1.524557 | < 1/R > | 1.155147 | < 1/R**2 > | 1.852219 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.427100 | .26745235 |
| 2 | 2s | 2.001096 | -.76114844 |
| 3 | 3s | 3.461588 | -.27605124 |
| 4 | 4s | 13.136918 | .00230828 |
| 5 | 5s | 7.040511 | -.02335539 |
| 6 | 5s | 2.242990 | .03104120 |
| 7 | 4s | 28.738388 | .00003518 |
| 8 | 4s | 1.752085 | -.01007570 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.180591 | < R2 > | 1.648468 | < 1/R > | 1.209913 | < 1/R**2 > | 5.916534 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.268856 | .00613791 |
| 2 | 1s | 6.254404 | .70936086 |
| 3 | 1s | 9.330960 | .22654018 |
| 4 | 2s | 7.138467 | .08427826 |
| 5 | 3s | 7.703589 | -.01452714 |
| 6 | 4s | 12.794762 | .00522695 |
| 7 | 5s | 22.128538 | .00018654 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227671 | < R2 > | .069771 | < 1/R > | 6.663875 | < 1/R**2 > | 90.055630 |
Total Energy= -53.04394333 a.u.
Kinetic Energy= 53.03592289 a.u.
Potential Energy= -106.07986622 a.u.
Virial Ratio = -2.00015123