(1s 2 2s 2 2p 4 5p 1 ) 2 D Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
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 | 3.043595 | .06971840 |
| 2 | 3p | .848377 | -.71702080 |
| 3 | 4p | .529784 | 2.42193518 |
| 4 | 5p | .463824 | -2.43373554 |
| 5 | 2p | 6.078544 | .01305521 |
| 6 | 5p | 3.278164 | .01654308 |
| 7 | 3p | 10.487943 | -.00068822 |
| ORB.ENERGY,a.u. | -.103440 | ||
| NORM | 1.000005 | < R > | 14.068067 | < R2 > | 222.657944 | < 1/R > | .098867 | < 1/R**2 > | .034740 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.644331 | .68325571 |
| 2 | 2p | 4.532259 | .36583077 |
| 3 | 2p | 11.395204 | .00983311 |
| 4 | 3p | 1.694222 | .03118141 |
| 5 | 4p | 6.636207 | -.02829374 |
| 6 | 4p | 1.485557 | -.01433129 |
| 7 | 5p | 1.204508 | .00400923 |
| 8 | 5p | .340573 | -.00136986 |
| 9 | 5p | 51.773960 | .00001853 |
| ORB.ENERGY,a.u. | -2.149800 | ||
| NORM | 1.000000 | < R > | .804553 | < R2 > | .812837 | < 1/R > | 1.638624 | < 1/R**2 > | 3.810321 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.311995 | .31823655 |
| 2 | 2s | 3.738235 | -.82639846 |
| 3 | 3s | 3.008570 | -.30173960 |
| 4 | 4s | 12.791450 | .01221811 |
| 5 | 3s | 14.523272 | .00429536 |
| 6 | 5s | 26.677231 | .00032858 |
| 7 | 5s | 2.082876 | -.02650266 |
| 8 | 4s | 1.866755 | .03252856 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828408 | < R2 > | .818854 | < 1/R > | 1.746349 | < 1/R**2 > | 12.533523 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.240166 | .89773267 |
| 2 | 1s | 13.930634 | .09962008 |
| 3 | 1s | 3.893572 | -.00005337 |
| 4 | 2s | 6.923992 | .01555596 |
| 5 | 3s | 10.819866 | -.00725850 |
| 6 | 4s | 18.636896 | .00288233 |
| 7 | 5s | 61.176939 | -.00003376 |
| 8 | 5s | 5.315547 | .00055390 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157457 | < R2 > | .033373 | < 1/R > | 9.624077 | < 1/R**2 > | 187.370728 |
Total Energy= -126.47591947 a.u.
Kinetic Energy= 126.47554948 a.u.
Potential Energy= -252.95146895 a.u.
Virial Ratio = -2.00000293