(1s 2 2s 2 2p 4 5d 1 ) 4 D Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4252.
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 | 5d- electron | |
| 1 | 3d | .547495 | 1.25495605 |
| 2 | 4d | .436750 | -3.74452257 |
| 3 | 5d | .397465 | 3.26081666 |
| 4 | 3d | 2.183971 | .02494502 |
| 5 | 4d | .304253 | -.09133858 |
| 6 | 5d | 1.736472 | .02104077 |
| 7 | 4d | 5.499979 | .00241881 |
| 8 | 5d | 13.947194 | .00021946 |
| 9 | 4d | 24.003316 | .00003676 |
| ORB.ENERGY,a.u. | -.082361 | ||
| NORM | 1.000010 | < R > | 16.660607 | < R2 > | 315.967860 | < 1/R > | .085303 | < 1/R**2 > | .016136 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.641081 | .66799059 |
| 2 | 2p | 4.479653 | .37646176 |
| 3 | 2p | 11.042597 | .01111595 |
| 4 | 3p | 1.907673 | .03483404 |
| 5 | 4p | 6.569867 | -.02990402 |
| 6 | 4p | 1.882497 | -.00899374 |
| 7 | 5p | 22.984396 | -.00017135 |
| ORB.ENERGY,a.u. | -2.162900 | ||
| NORM | 1.000000 | < R > | .804802 | < R2 > | .813103 | < 1/R > | 1.638381 | < 1/R**2 > | 3.809614 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.311097 | .31834997 |
| 2 | 2s | 3.738548 | -.82684685 |
| 3 | 3s | 3.006106 | -.30196010 |
| 4 | 4s | 12.778036 | .01222943 |
| 5 | 3s | 14.501086 | .00433119 |
| 6 | 5s | 26.614747 | .00033189 |
| 7 | 5s | 2.102182 | -.02725592 |
| 8 | 4s | 1.889966 | .03386504 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828265 | < R2 > | .818561 | < 1/R > | 1.746672 | < 1/R**2 > | 12.537986 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241137 | .89912753 |
| 2 | 1s | 13.992079 | .09824815 |
| 3 | 1s | 42.320108 | -.00002173 |
| 4 | 2s | 6.916243 | .01559783 |
| 5 | 3s | 10.737522 | -.00730283 |
| 6 | 4s | 18.945137 | .00280599 |
| 7 | 5s | 67.087200 | -.00001542 |
| 8 | 5s | 5.237354 | .00053290 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157454 | < R2 > | .033372 | < 1/R > | 9.624165 | < 1/R**2 > | 187.373331 |
Total Energy= -126.45371554 a.u.
Kinetic Energy= 126.45447913 a.u.
Potential Energy= -252.90819467 a.u.
Virial Ratio = -1.99999396