(1s 2 2s 2 2p 1 5d 1 ) 1 P Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1152.
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 | 1.236388 | 1.77571140 |
| 2 | 4d | 1.096020 | -4.15163002 |
| 3 | 5d | .964563 | 3.23721865 |
| 4 | 3d | 5.043383 | .01052017 |
| 5 | 4d | .685009 | -.18394239 |
| 6 | 5d | 2.761133 | -.01455549 |
| 7 | 5d | .533819 | .03218102 |
| 8 | 4d | 12.310217 | -.00022801 |
| 9 | 3d | .370997 | -.02064888 |
| ORB.ENERGY,a.u. | -.502480 | ||
| NORM | 1.000005 | < R > | 6.845995 | < R2 > | 53.264129 | < 1/R > | .204268 | < 1/R**2 > | .086725 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.584389 | .87997093 |
| 2 | 2p | 5.541274 | .13763954 |
| 3 | 2p | 11.557671 | .00777839 |
| 4 | 3p | 5.307226 | -.01250655 |
| 5 | 4p | 3.249933 | .00735994 |
| 6 | 4p | 17.833617 | -.00065564 |
| ORB.ENERGY,a.u. | -5.567700 | ||
| NORM | 1.000000 | < R > | .661790 | < R2 > | .533225 | < 1/R > | 1.924226 | < 1/R**2 > | 5.060100 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.895049 | .32349072 |
| 2 | 2s | 3.358420 | -.79322000 |
| 3 | 3s | 5.250532 | -.27185759 |
| 4 | 4s | 18.165728 | .00226694 |
| 5 | 5s | 10.351867 | -.01545743 |
| 6 | 5s | 3.801774 | .02304306 |
| 7 | 4s | 36.940138 | .00004173 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .738858 | < R2 > | .640853 | < 1/R > | 1.961301 | < 1/R**2 > | 15.587805 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.577642 | .00040115 |
| 2 | 1s | 9.271180 | .89166239 |
| 3 | 1s | 13.711555 | .10449496 |
| 4 | 2s | 7.502378 | .01482039 |
| 5 | 3s | 10.889527 | -.00732488 |
| 6 | 4s | 18.684656 | .00417460 |
| 7 | 5s | 10.310066 | -.00183371 |
| 8 | 5s | 37.060571 | .00007731 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156627 | < R2 > | .032936 | < 1/R > | 9.655306 | < 1/R**2 > | 188.299011 |
Total Energy= -116.42564962 a.u.
Kinetic Energy= 116.41333207 a.u.
Potential Energy= -232.83898169 a.u.
Virial Ratio = -2.00010581