(1s 2 2s 2 2p 2 4d 1 ) 4 P Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4142.
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 | 4d- electron | |
| 1 | 3d | 1.261544 | 1.18124005 |
| 2 | 4d | .991798 | -1.62202415 |
| 3 | 3d | 4.181721 | .01893220 |
| 4 | 5d | 2.199488 | -.05300546 |
| 5 | 4d | 7.810390 | -.00070535 |
| 6 | 5d | .842867 | .01642603 |
| ORB.ENERGY,a.u. | -.516920 | ||
| NORM | 1.000000 | < R > | 5.036117 | < R2 > | 29.119152 | < 1/R > | .265873 | < 1/R**2 > | .118668 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.210255 | .80026883 |
| 2 | 2p | 5.120121 | .23805161 |
| 3 | 2p | 12.184859 | .00699982 |
| 4 | 3p | 1.320170 | .00077530 |
| 5 | 4p | 3.976236 | -.01081048 |
| 6 | 4p | 7.664411 | -.00972128 |
| 7 | 5p | 21.307266 | -.00032405 |
| ORB.ENERGY,a.u. | -4.328600 | ||
| NORM | 1.000000 | < R > | .700443 | < R2 > | .601534 | < 1/R > | 1.833079 | < 1/R**2 > | 4.635711 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.187014 | .35183676 |
| 2 | 2s | 3.942909 | -.84040285 |
| 3 | 3s | 3.654547 | -.27902612 |
| 4 | 4s | 11.760944 | .01393951 |
| 5 | 3s | 12.832824 | .00867473 |
| 6 | 5s | 3.560676 | -.01180107 |
| 7 | 5s | 23.934842 | .00065423 |
| 8 | 3s | 1.828930 | .00074857 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .767601 | < R2 > | .694841 | < 1/R > | 1.884944 | < 1/R**2 > | 14.467537 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.709663 | .61347971 |
| 2 | 1s | 13.271838 | .30150249 |
| 3 | 1s | 5.700727 | .00697136 |
| 4 | 2s | 10.366880 | .13444858 |
| 5 | 3s | 10.763166 | -.04344986 |
| 6 | 4s | 18.407093 | .00285934 |
| 7 | 5s | 60.819435 | -.00004113 |
| 8 | 5s | 5.636183 | .00024627 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .156990 | < R2 > | .033125 | < 1/R > | 9.641386 | < 1/R**2 > | 187.882830 |
Total Energy= -121.06335941 a.u.
Kinetic Energy= 121.06049720 a.u.
Potential Energy= -242.12385661 a.u.
Virial Ratio = -2.00002364