(1s 2 2s 2 2p 1 5s 1 ) 1 P Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1150.
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 | 5s- electron | |
| 1 | 1s | 8.702085 | .05633611 |
| 2 | 2s | 1.095023 | -2.61201715 |
| 3 | 3s | 1.625390 | 3.54747973 |
| 4 | 4s | .972268 | -7.52510466 |
| 5 | 5s | 1.059015 | 7.67023844 |
| 6 | 5s | 6.350293 | -.03123556 |
| 7 | 4s | 8.559175 | -.02854087 |
| 8 | 3s | .548082 | .02310180 |
| 9 | 3s | 13.039237 | -.00157645 |
| ORB.ENERGY,a.u. | -.590480 | ||
| NORM | 1.000016 | < R > | 6.369950 | < R2 > | 45.398554 | < 1/R > | .222752 | < 1/R**2 > | .463613 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.679973 | .89449366 |
| 2 | 2p | 5.560302 | .13463188 |
| 3 | 2p | 14.722245 | .00213095 |
| 4 | 3p | 6.263847 | -.03826645 |
| 5 | 4p | 3.625864 | .02888543 |
| 6 | 4p | 14.704305 | -.00157313 |
| ORB.ENERGY,a.u. | -5.577900 | ||
| NORM | 1.000000 | < R > | .662730 | < R2 > | .534697 | < 1/R > | 1.921576 | < 1/R**2 > | 5.047069 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.810021 | .32858735 |
| 2 | 2s | 3.488297 | -.77854252 |
| 3 | 3s | 5.005509 | -.27047055 |
| 4 | 4s | 20.457945 | .00177413 |
| 5 | 5s | 10.216428 | -.02081521 |
| 6 | 4s | 1.435698 | .02599870 |
| 7 | 5s | 1.630776 | -.03368399 |
| 8 | 5s | 31.673825 | -.00019224 |
| 9 | 3s | .779573 | .00967718 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .738108 | < R2 > | .640009 | < 1/R > | 1.963610 | < 1/R**2 > | 15.623094 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.271067 | .89200653 |
| 2 | 1s | 13.753250 | .10386006 |
| 3 | 1s | .928186 | .00084446 |
| 4 | 2s | 7.892671 | .01462010 |
| 5 | 3s | 10.008022 | -.00773870 |
| 6 | 4s | 17.953826 | .00345940 |
| 7 | 5s | 3.454139 | -.00065236 |
| 8 | 5s | 29.794109 | .00031622 |
| 9 | 4s | .638409 | -.00036530 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156636 | < R2 > | .032946 | < 1/R > | 9.654969 | < 1/R**2 > | 188.288443 |
Total Energy= -116.50453774 a.u.
Kinetic Energy= 116.50099769 a.u.
Potential Energy= -233.00553543 a.u.
Virial Ratio = -2.00003039