(1s 2 2s 2 2p 4 5d 1 ) 4 P Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4152.
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 | .503331 | 1.62599427 |
| 2 | 4d | .425248 | -4.53931749 |
| 3 | 5d | .394359 | 3.70805974 |
| 4 | 3d | 2.714065 | .01347388 |
| 5 | 4d | .306863 | -.09529447 |
| 6 | 5d | 2.069151 | .00940532 |
| 7 | 4d | 7.488316 | .00048476 |
| 8 | 5d | 27.162391 | .00002105 |
| ORB.ENERGY,a.u. | -.080722 | ||
| NORM | .999992 | < R > | 17.031489 | < R2 > | 329.881568 | < 1/R > | .082647 | < 1/R**2 > | .014626 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.642156 | .66846314 |
| 2 | 2p | 4.481645 | .37588664 |
| 3 | 2p | 11.043825 | .01110552 |
| 4 | 3p | 1.911125 | .03477340 |
| 5 | 4p | 6.571159 | -.02981948 |
| 6 | 4p | 1.888194 | -.00894582 |
| 7 | 5p | 22.987644 | -.00017142 |
| ORB.ENERGY,a.u. | -2.161300 | ||
| NORM | 1.000000 | < R > | .804664 | < R2 > | .812776 | < 1/R > | 1.638570 | < 1/R**2 > | 3.810321 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.311297 | .31833778 |
| 2 | 2s | 3.739245 | -.82635719 |
| 3 | 3s | 3.010116 | -.30169624 |
| 4 | 4s | 12.781313 | .01222138 |
| 5 | 3s | 14.503286 | .00432594 |
| 6 | 5s | 26.626386 | .00033098 |
| 7 | 5s | 2.077363 | -.02565946 |
| 8 | 4s | 1.863888 | .03154176 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828257 | < R2 > | .818536 | < 1/R > | 1.746673 | < 1/R**2 > | 12.537951 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241319 | .89710494 |
| 2 | 1s | 13.928563 | .09960510 |
| 3 | 1s | 8.438231 | .00059698 |
| 4 | 2s | 6.912672 | .01557972 |
| 5 | 3s | 10.790812 | -.00729302 |
| 6 | 4s | 18.592410 | .00290450 |
| 7 | 5s | 61.980989 | -.00003320 |
| 8 | 5s | 5.213401 | .00052628 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157455 | < R2 > | .033372 | < 1/R > | 9.624153 | < 1/R**2 > | 187.372997 |
Total Energy= -126.45380847 a.u.
Kinetic Energy= 126.45283751 a.u.
Potential Energy= -252.90664598 a.u.
Virial Ratio = -2.00000768