(1s 2 2s 2 2p 4 5p 1 ) 4 D Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | 5p- electron | |
| 1 | 2p | 3.321582 | .07664278 |
| 2 | 3p | .903281 | -.62089680 |
| 3 | 4p | .546201 | 1.74650955 |
| 4 | 5p | .464104 | -2.19286116 |
| 5 | 2p | 6.751217 | .00834150 |
| 6 | 5p | 3.466553 | .01707686 |
| 7 | 5p | .644379 | .36549695 |
| 8 | 3p | 11.094897 | -.00055574 |
| ORB.ENERGY,a.u. | -.104570 | ||
| NORM | .999999 | < R > | 13.908210 | < R2 > | 217.706699 | < 1/R > | .101014 | < 1/R**2 > | .038799 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.643126 | .66995720 |
| 2 | 2p | 4.484961 | .37464671 |
| 3 | 2p | 11.052234 | .01107009 |
| 4 | 3p | 1.886479 | .03484218 |
| 5 | 4p | 6.570157 | -.02978390 |
| 6 | 4p | 1.843183 | -.00933496 |
| 7 | 5p | 22.920884 | -.00016826 |
| ORB.ENERGY,a.u. | -2.150900 | ||
| NORM | 1.000000 | < R > | .804804 | < R2 > | .813072 | < 1/R > | 1.638328 | < 1/R**2 > | 3.809319 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.311947 | .31823927 |
| 2 | 2s | 3.738425 | -.82631496 |
| 3 | 3s | 3.009725 | -.30156130 |
| 4 | 4s | 12.785004 | .01218268 |
| 5 | 3s | 14.485143 | .00433470 |
| 6 | 5s | 26.680900 | .00032761 |
| 7 | 5s | 2.072870 | -.02604514 |
| 8 | 4s | 1.855269 | .03178908 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828414 | < R2 > | .818874 | < 1/R > | 1.746345 | < 1/R**2 > | 12.533514 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241587 | .90168877 |
| 2 | 1s | 14.175178 | .09643506 |
| 3 | 1s | 22.946489 | -.00076882 |
| 4 | 2s | 6.947435 | .01559705 |
| 5 | 3s | 10.674490 | -.00735382 |
| 6 | 4s | 19.371907 | .00281039 |
| 7 | 5s | 65.948766 | -.00001393 |
| 8 | 5s | 5.458891 | .00058305 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157457 | < R2 > | .033373 | < 1/R > | 9.624077 | < 1/R**2 > | 187.370712 |
Total Energy= -126.47586502 a.u.
Kinetic Energy= 126.47668565 a.u.
Potential Energy= -252.95255067 a.u.
Virial Ratio = -1.99999351