(1s 2 2s 2 2p 2 3d 1 ) 4 F O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4332.
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 | .706660 | .93536543 |
| 2 | 5d | 3.866751 | -.00294009 |
| 3 | 4d | 16.276000 | .00003050 |
| 4 | 3d | 2.402844 | .04520547 |
| 5 | 4d | 1.612065 | .03926379 |
| 6 | 5d | .708644 | .02787071 |
| ORB.ENERGY,a.u. | -.232300 | ||
| NORM | 1.000000 | < R > | 4.853372 | < R2 > | 27.327402 | < 1/R > | .246742 | < 1/R**2 > | .076625 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.355667 | .79377146 |
| 2 | 2p | 4.071709 | .19759717 |
| 3 | 2p | 9.071525 | .00883786 |
| 4 | 3p | 1.571927 | .06500527 |
| 5 | 4p | 1.437980 | -.02798511 |
| 6 | 5p | 18.444378 | -.00023804 |
| 7 | 5p | 1.347807 | .00828192 |
| 8 | 4p | 62.948686 | .00000192 |
| ORB.ENERGY,a.u. | -1.701900 | ||
| NORM | 1.000000 | < R > | .988748 | < R2 > | 1.212550 | < 1/R > | 1.315517 | < 1/R**2 > | 2.423675 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.671719 | .31187246 |
| 2 | 2s | 2.926461 | -.84674631 |
| 3 | 3s | 2.487216 | -.26820142 |
| 4 | 4s | 9.625247 | .01934941 |
| 5 | 3s | 11.428022 | .00686293 |
| 6 | 5s | 1.723382 | -.00094588 |
| 7 | 5s | 19.162984 | .00075709 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.034838 | < R2 > | 1.271344 | < 1/R > | 1.387543 | < 1/R**2 > | 7.835863 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.340057 | .73696533 |
| 2 | 1s | 10.790262 | .19548020 |
| 3 | 1s | 2.210047 | .00408066 |
| 4 | 2s | 7.734061 | .09950837 |
| 5 | 3s | 8.865898 | -.02277239 |
| 6 | 4s | 15.076175 | .00462426 |
| 7 | 5s | 3.858805 | -.00081377 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198208 | < R2 > | .052883 | < 1/R > | 7.650653 | < 1/R**2 > | 118.577815 |
Total Energy= -73.32859112 a.u.
Kinetic Energy= 73.33250007 a.u.
Potential Energy= -146.66109119 a.u.
Virial Ratio = -1.99994670