(1s 2 2s 2 2p 4 4d 1 ) 2 F Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2342.
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 | .601111 | 1.26760682 |
| 2 | 4d | .489579 | -1.72135145 |
| 3 | 3d | 2.549377 | .01328602 |
| 4 | 5d | 1.158275 | -.03383260 |
| 5 | 4d | 6.459608 | .00344387 |
| 6 | 5d | .416245 | .01836268 |
| 7 | 5d | 8.398894 | -.00150769 |
| 8 | 4d | 26.278610 | .00001946 |
| ORB.ENERGY,a.u. | -.126560 | ||
| NORM | 1.000001 | < R > | 10.307021 | < R2 > | 121.882774 | < 1/R > | .129563 | < 1/R**2 > | .028143 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.641722 | .66827519 |
| 2 | 2p | 4.480926 | .37610691 |
| 3 | 2p | 11.043572 | .01110841 |
| 4 | 3p | 1.911272 | .03466441 |
| 5 | 4p | 6.570826 | -.02984427 |
| 6 | 4p | 1.894773 | -.00872773 |
| 7 | 5p | 22.986708 | -.00017125 |
| ORB.ENERGY,a.u. | -2.100200 | ||
| NORM | 1.000000 | < R > | .804757 | < R2 > | .813031 | < 1/R > | 1.638471 | < 1/R**2 > | 3.809987 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.311252 | .31832815 |
| 2 | 2s | 3.738972 | -.82648012 |
| 3 | 3s | 3.009353 | -.30161787 |
| 4 | 4s | 12.781063 | .01221650 |
| 5 | 3s | 14.497866 | .00432782 |
| 6 | 5s | 26.640290 | .00033118 |
| 7 | 5s | 2.085030 | -.02563626 |
| 8 | 4s | 1.871948 | .03151057 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828313 | < R2 > | .818682 | < 1/R > | 1.746595 | < 1/R**2 > | 12.537038 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.240366 | .89771035 |
| 2 | 1s | 13.930515 | .09961772 |
| 3 | 1s | 3.897091 | -.00002366 |
| 4 | 2s | 6.928813 | .01555231 |
| 5 | 3s | 10.814428 | -.00726124 |
| 6 | 4s | 18.640132 | .00287993 |
| 7 | 5s | 61.071350 | -.00003380 |
| 8 | 5s | 5.305430 | .00055192 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157454 | < R2 > | .033372 | < 1/R > | 9.624159 | < 1/R**2 > | 187.373190 |
Total Energy= -126.50001857 a.u.
Kinetic Energy= 126.49866925 a.u.
Potential Energy= -252.99868782 a.u.
Virial Ratio = -2.00001067