(1s 2 2s 2 2p 4 3d 1 ) 2 F F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2332.
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 | .336728 | .97945598 |
| 2 | 3d | 2.605522 | .00362466 |
| 3 | 4d | 1.596194 | .00305681 |
| 4 | 5d | 4.795774 | -.00031644 |
| 5 | 5d | .369968 | .02289107 |
| ORB.ENERGY,a.u. | -.055565 | ||
| NORM | 1.000000 | < R > | 10.475597 | < R2 > | 125.539568 | < 1/R > | .111647 | < 1/R**2 > | .015066 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.211186 | .67409841 |
| 2 | 2p | 3.943254 | .31759225 |
| 3 | 2p | 9.755063 | .01618150 |
| 4 | 3p | 1.524946 | .05919229 |
| 5 | 4p | 9.440305 | .01379487 |
| 6 | 4p | .978522 | -.04505204 |
| 7 | 3p | 12.400069 | .00326931 |
| 8 | 5p | 1.080551 | .03503098 |
| ORB.ENERGY,a.u. | -1.049000 | ||
| NORM | 1.000000 | < R > | .969906 | < R2 > | 1.195426 | < 1/R > | 1.377815 | < 1/R**2 > | 2.732131 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.494420 | .30227500 |
| 2 | 2s | 3.279983 | -.83625067 |
| 3 | 3s | 2.606878 | -.31925133 |
| 4 | 4s | 4.793666 | .02999023 |
| 5 | 3s | 8.748747 | .02647286 |
| 6 | 5s | 19.310784 | .00070847 |
| 7 | 5s | 2.250239 | -.00501705 |
| 8 | 2s | 48.821495 | .00000819 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .960940 | < R2 > | 1.108669 | < 1/R > | 1.503328 | < 1/R**2 > | 9.296062 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.231401 | .87192523 |
| 2 | 1s | 12.229499 | .12116548 |
| 3 | 1s | 9.948143 | .00272446 |
| 4 | 2s | 6.007467 | .01818424 |
| 5 | 3s | 8.211363 | -.00759553 |
| 6 | 4s | 17.126934 | .00294684 |
| 7 | 5s | 51.661438 | -.00004105 |
| 8 | 5s | 4.188174 | .00044878 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175670 | < R2 > | .041563 | < 1/R > | 8.632445 | < 1/R**2 > | 150.887144 |
Total Energy= -98.88830755 a.u.
Kinetic Energy= 98.88727807 a.u.
Potential Energy= -197.77558562 a.u.
Virial Ratio = -2.00001041