(1s 2 2s 2 2p 5 3s 1 ) 1 P Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1130.
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 | 3s- electron | |
| 1 | 1s | 4.590880 | .10397165 |
| 2 | 2s | 5.688273 | -.12418814 |
| 3 | 3s | .779112 | 1.17905072 |
| 4 | 4s | 5.553656 | -.07672612 |
| 5 | 5s | 4.090850 | -.05208387 |
| 6 | 4s | .457501 | .13860973 |
| 7 | 5s | 1.105008 | -.21638761 |
| 8 | 5s | 11.319642 | -.00326741 |
| 9 | 5s | .486633 | -.08431079 |
| ORB.ENERGY,a.u. | -.168540 | ||
| NORM | 1.000000 | < R > | 4.556951 | < R2 > | 24.092514 | < 1/R > | .272761 | < 1/R**2 > | .288761 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.696265 | .13488565 |
| 2 | 2p | 2.551736 | .59452644 |
| 3 | 2p | 4.509572 | .30377987 |
| 4 | 2p | 10.131089 | .01887093 |
| 5 | 4p | 2.124584 | .02446210 |
| 6 | 4p | 10.416813 | .01224564 |
| 7 | 3p | 1.279972 | -.01600402 |
| 8 | 3p | 14.361788 | .00189275 |
| 9 | 5p | 1.397822 | .00483551 |
| ORB.ENERGY,a.u. | -1.138900 | ||
| NORM | 1.000000 | < R > | .877943 | < R2 > | .987886 | < 1/R > | 1.534621 | < 1/R**2 > | 3.412105 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.418856 | .25496737 |
| 2 | 2s | 2.608905 | -.66289719 |
| 3 | 3s | 5.952246 | -.26998192 |
| 4 | 4s | 4.896049 | -.12686915 |
| 5 | 5s | 11.322816 | -.00979619 |
| 6 | 5s | 1.108928 | .00545209 |
| 7 | 4s | 41.442433 | -.00011836 |
| 8 | 3s | 73.299838 | -.00001478 |
| 9 | 3s | .219136 | .00536840 |
| 10 | 4s | .261942 | -.00487137 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .858444 | < R2 > | .885675 | < 1/R > | 1.688107 | < 1/R**2 > | 11.765289 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.242751 | .92167049 |
| 2 | 1s | 14.454457 | .08161530 |
| 3 | 2s | 5.537033 | .00859074 |
| 4 | 3s | 13.509887 | -.00691162 |
| 5 | 4s | 20.012685 | .00349938 |
| 6 | 5s | 30.402683 | -.00010453 |
| 7 | 5s | 3.521604 | .00024463 |
| 8 | 4s | 1.142014 | -.00024776 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157572 | < R2 > | .033437 | < 1/R > | 9.620006 | < 1/R**2 > | 187.252240 |
Total Energy= -127.99015128 a.u.
Kinetic Energy= 127.98620623 a.u.
Potential Energy= -255.97635751 a.u.
Virial Ratio = -2.00003082