(1s 2 2s 2 2p 4 4d 1 ) 4 F F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4342.
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 | 4d- electron | |
| 1 | 3d | .281149 | 1.48050153 |
| 2 | 4d | .247090 | -1.94434677 |
| 3 | 3d | 1.785331 | .00485417 |
| 4 | 5d | .624310 | -.01637664 |
| 5 | 4d | 5.405186 | .00143000 |
| 6 | 5d | 7.272873 | -.00072583 |
| ORB.ENERGY,a.u. | -.031321 | ||
| NORM | .999999 | < R > | 20.915355 | < R2 > | 500.574674 | < 1/R > | .063113 | < 1/R**2 > | .006492 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.212658 | .67422735 |
| 2 | 2p | 3.944846 | .31699097 |
| 3 | 2p | 9.708662 | .01637202 |
| 4 | 3p | 1.536708 | .05860913 |
| 5 | 4p | 9.432341 | .01373644 |
| 6 | 4p | .942112 | -.04538386 |
| 7 | 3p | 12.451806 | .00313937 |
| 8 | 5p | 1.049073 | .03653075 |
| ORB.ENERGY,a.u. | -1.124900 | ||
| NORM | 1.000000 | < R > | .969909 | < R2 > | 1.195421 | < 1/R > | 1.377809 | < 1/R**2 > | 2.732108 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.475256 | .30343983 |
| 2 | 2s | 3.284560 | -.83701588 |
| 3 | 3s | 2.609016 | -.31946734 |
| 4 | 4s | 4.842746 | .03022326 |
| 5 | 3s | 8.651377 | .02622157 |
| 6 | 5s | 18.315118 | .00086865 |
| 7 | 5s | 2.299656 | -.00548958 |
| 8 | 3s | 30.144997 | -.00007408 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .960930 | < R2 > | 1.108638 | < 1/R > | 1.503339 | < 1/R**2 > | 9.296167 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.230849 | .87169664 |
| 2 | 1s | 12.228214 | .12118080 |
| 3 | 1s | 10.002457 | .00294349 |
| 4 | 2s | 6.008140 | .01817254 |
| 5 | 3s | 8.208723 | -.00759116 |
| 6 | 4s | 17.133060 | .00294572 |
| 7 | 5s | 51.604639 | -.00004127 |
| 8 | 5s | 4.200468 | .00045102 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175670 | < R2 > | .041563 | < 1/R > | 8.632445 | < 1/R**2 > | 150.887154 |
Total Energy= -98.86350076 a.u.
Kinetic Energy= 98.86303687 a.u.
Potential Energy= -197.72653762 a.u.
Virial Ratio = -2.00000469