(1s 2 2s 2 2p 5 4s 1 ) 1 P Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1140.
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 | 4s- electron | |
| 1 | 1s | 9.103239 | .01891280 |
| 2 | 2s | 2.716119 | -.07124657 |
| 3 | 3s | .787418 | .64511964 |
| 4 | 4s | .416723 | -1.10158730 |
| 5 | 5s | 1.139810 | -.08906523 |
| 6 | 4s | 10.511623 | -.00513843 |
| 7 | 5s | 7.938415 | -.00862122 |
| 8 | 5s | 33.508276 | -.00008448 |
| 9 | 5s | .326113 | -.02562267 |
| ORB.ENERGY,a.u. | -.066842 | ||
| NORM | .999999 | < R > | 11.291324 | < R2 > | 144.623373 | < 1/R > | .117374 | < 1/R**2 > | .074741 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.710856 | .13391016 |
| 2 | 2p | 2.546923 | .59312916 |
| 3 | 2p | 4.499195 | .30656641 |
| 4 | 2p | 10.186992 | .01868254 |
| 5 | 4p | 2.200375 | .02750417 |
| 6 | 4p | 10.462875 | .01240132 |
| 7 | 3p | 1.616106 | -.01619841 |
| 8 | 3p | 14.381631 | .00198384 |
| ORB.ENERGY,a.u. | -1.299400 | ||
| NORM | 1.000000 | < R > | .876381 | < R2 > | .983418 | < 1/R > | 1.536327 | < 1/R**2 > | 3.418170 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.423449 | .25453435 |
| 2 | 2s | 2.612647 | -.66578957 |
| 3 | 3s | 5.918085 | -.27053862 |
| 4 | 4s | 4.876801 | -.12126381 |
| 5 | 5s | 11.352160 | -.01028076 |
| 6 | 4s | 1.495147 | -.00274350 |
| 7 | 3s | 27.464850 | -.00009810 |
| 8 | 5s | 1.248507 | .00313793 |
| 9 | 3s | .332972 | -.00387854 |
| 10 | 4s | 23.262375 | .00013916 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .859947 | < R2 > | .890693 | < 1/R > | 1.686192 | < 1/R**2 > | 11.743152 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.242058 | .92179420 |
| 2 | 1s | 14.462966 | .08153524 |
| 3 | 2s | 5.615960 | .00874026 |
| 4 | 3s | 13.403992 | -.00728861 |
| 5 | 4s | 19.910046 | .00365064 |
| 6 | 5s | 29.031748 | -.00014007 |
| 7 | 5s | 3.991485 | .00025221 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620040 | < 1/R**2 > | 187.253434 |
Total Energy= -127.88558303 a.u.
Kinetic Energy= 127.88463418 a.u.
Potential Energy= -255.77021721 a.u.
Virial Ratio = -2.00000742