(1s 2 2s 2 2p 5 4p 1 ) 3 P Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | 2.952250 | .05708804 |
| 2 | 3p | .541829 | -.64377877 |
| 3 | 4p | .328170 | 1.19952235 |
| 4 | 5p | 1.466208 | -.03969721 |
| 5 | 2p | 7.315160 | .00488997 |
| 6 | 5p | 5.699798 | -.00594366 |
| 7 | 3p | 15.435764 | -.00004649 |
| ORB.ENERGY,a.u. | -.048905 | ||
| NORM | 1.000000 | < R > | 14.433708 | < R2 > | 237.329057 | < 1/R > | .093050 | < 1/R**2 > | .022865 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.761651 | .11332604 |
| 2 | 2p | 2.683184 | .63183959 |
| 3 | 2p | 4.586432 | .24806314 |
| 4 | 2p | 8.556854 | .03231390 |
| 5 | 4p | 2.472098 | .08704166 |
| 6 | 4p | 9.052067 | .01158317 |
| 7 | 3p | 2.087956 | -.04005699 |
| 8 | 4p | 40.871226 | .00001986 |
| ORB.ENERGY,a.u. | -1.314100 | ||
| NORM | 1.000000 | < R > | .875995 | < R2 > | .982321 | < 1/R > | 1.536743 | < 1/R**2 > | 3.419631 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.400938 | .30226057 |
| 2 | 2s | 3.733343 | -.78479913 |
| 3 | 3s | 2.885191 | -.34150318 |
| 4 | 4s | 13.306569 | .01537193 |
| 5 | 3s | 23.389897 | .00199074 |
| 6 | 5s | 1.845543 | -.01651948 |
| 7 | 5s | 24.637795 | .00179397 |
| 8 | 4s | 1.488924 | .02100806 |
| 9 | 3s | 1.115359 | -.00642671 |
| 10 | 2s | 50.661509 | .00004269 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860398 | < R2 > | .890569 | < 1/R > | 1.685410 | < 1/R**2 > | 11.733741 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241841 | .92192418 |
| 2 | 1s | 14.464813 | .08146969 |
| 3 | 2s | 5.555220 | .00858511 |
| 4 | 3s | 13.442203 | -.00702962 |
| 5 | 4s | 19.930319 | .00343717 |
| 6 | 5s | 31.005213 | -.00007281 |
| 7 | 5s | 3.662290 | .00023384 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620026 | < 1/R**2 > | 187.253081 |
Total Energy= -127.86721553 a.u.
Kinetic Energy= 127.86672058 a.u.
Potential Energy= -255.73393611 a.u.
Virial Ratio = -2.00000387