(1s 2 2s 2 2p 2 5s 1 ) 4 P Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4150.
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 | 8.344365 | .05316814 |
| 2 | 2s | 2.833034 | -.27174103 |
| 3 | 3s | 1.304703 | 1.68781137 |
| 4 | 4s | 1.094698 | -3.35163918 |
| 5 | 5s | .898465 | 2.46527115 |
| 6 | 5s | 8.760235 | -.00869720 |
| 7 | 5s | 23.802898 | .00019867 |
| 8 | 3s | .432437 | -.00714694 |
| 9 | 4s | 10.150054 | -.00276387 |
| ORB.ENERGY,a.u. | -.406480 | ||
| NORM | 1.000002 | < R > | 7.408212 | < R2 > | 61.417679 | < 1/R > | .192149 | < 1/R**2 > | .366899 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.238823 | .82916291 |
| 2 | 2p | 5.359726 | .19835148 |
| 3 | 2p | 11.363681 | .00837299 |
| 4 | 3p | 1.640961 | .01564794 |
| 5 | 4p | 3.653857 | -.01628470 |
| 6 | 5p | 23.600740 | -.00028636 |
| 7 | 5p | 2.086651 | -.01008265 |
| 8 | 4p | 99.475576 | .00000219 |
| ORB.ENERGY,a.u. | -4.444200 | ||
| NORM | 1.000000 | < R > | .700306 | < R2 > | .601206 | < 1/R > | 1.833211 | < 1/R**2 > | 4.635878 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.193665 | .35153413 |
| 2 | 2s | 3.943964 | -.83895610 |
| 3 | 3s | 3.659319 | -.27973168 |
| 4 | 4s | 11.863343 | .01548079 |
| 5 | 3s | 13.716248 | .00741283 |
| 6 | 5s | 3.550834 | -.00938001 |
| 7 | 4s | 1.156623 | .01539350 |
| 8 | 2s | .600477 | -.01593084 |
| 9 | 5s | 22.763576 | .00067992 |
| 10 | 2s | 60.409974 | .00000505 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .767316 | < R2 > | .694642 | < 1/R > | 1.885661 | < 1/R**2 > | 14.477829 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.716684 | .61213969 |
| 2 | 1s | 13.262658 | .30113907 |
| 3 | 1s | 6.671204 | .00826324 |
| 4 | 2s | 10.366461 | .13404575 |
| 5 | 3s | 10.868742 | -.04305243 |
| 6 | 4s | 18.386640 | .00334295 |
| 7 | 3s | 35.288557 | -.00008035 |
| 8 | 5s | 5.886135 | .00044077 |
| 9 | 4s | .359954 | .00014999 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .156991 | < R2 > | .033129 | < 1/R > | 9.641329 | < 1/R**2 > | 187.880488 |
Total Energy= -120.94775338 a.u.
Kinetic Energy= 120.94983352 a.u.
Potential Energy= -241.89758690 a.u.
Virial Ratio = -1.99998280