(1s 2 2s 2 2p 4 5p 1 ) 2 P Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 2.292990 | .06498920 |
| 2 | 3p | .779584 | -.86284730 |
| 3 | 4p | .538766 | 2.37833315 |
| 4 | 5p | .447677 | -2.30657815 |
| 5 | 2p | 5.586745 | .01404757 |
| 6 | 5p | 2.812946 | .01402571 |
| 7 | 5p | .371625 | .07083024 |
| 8 | 3p | 9.194013 | -.00085985 |
| ORB.ENERGY,a.u. | -.100850 | ||
| NORM | .999994 | < R > | 14.398442 | < R2 > | 232.973098 | < 1/R > | .093623 | < 1/R**2 > | .023717 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | .304572 | -.04470215 |
| 2 | 2p | 2.649843 | .67969100 |
| 3 | 2p | 4.544373 | .36358645 |
| 4 | 2p | 11.178534 | .01030496 |
| 5 | 3p | 2.034995 | .02842421 |
| 6 | 4p | 6.698693 | -.02604347 |
| 7 | 4p | .599589 | .04308661 |
| 8 | 5p | 22.685301 | -.00018420 |
| ORB.ENERGY,a.u. | -2.147200 | ||
| NORM | 1.000000 | < R > | .804817 | < R2 > | .830824 | < 1/R > | 1.639405 | < 1/R**2 > | 3.812930 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.312296 | .31820773 |
| 2 | 2s | 3.738450 | -.82607804 |
| 3 | 3s | 3.009836 | -.30188143 |
| 4 | 4s | 12.799304 | .01218437 |
| 5 | 3s | 14.508753 | .00429951 |
| 6 | 5s | 26.762909 | .00032336 |
| 7 | 5s | 2.082947 | -.02556177 |
| 8 | 4s | 1.869415 | .03149368 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828418 | < R2 > | .818859 | < 1/R > | 1.746297 | < 1/R**2 > | 12.532709 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241629 | .89831738 |
| 2 | 1s | 13.941280 | .09839872 |
| 3 | 1s | 14.268642 | .00064525 |
| 4 | 2s | 6.899011 | .01558798 |
| 5 | 3s | 10.767156 | -.00729320 |
| 6 | 4s | 18.597806 | .00283918 |
| 7 | 5s | 61.243904 | -.00003564 |
| 8 | 5s | 5.196939 | .00051650 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157457 | < R2 > | .033373 | < 1/R > | 9.624064 | < 1/R**2 > | 187.370335 |
Total Energy= -126.47494053 a.u.
Kinetic Energy= 126.47298327 a.u.
Potential Energy= -252.94792380 a.u.
Virial Ratio = -2.00001548