(1s 2 2s 2 2p 3 3s 1 ) 3 S Na 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 9.697750 | .09809283 |
| 2 | 2s | 2.963826 | -.49623107 |
| 3 | 3s | 1.755584 | 1.19727016 |
| 4 | 4s | 8.162637 | -.03095114 |
| 5 | 5s | 14.232003 | -.00401925 |
| 6 | 2s | 20.800031 | .00042892 |
| 7 | 5s | 1.261144 | .00117833 |
| 8 | 4s | 33.075487 | .00006454 |
| ORB.ENERGY,a.u. | -1.399500 | ||
| NORM | 1.000000 | < R > | 2.202737 | < R2 > | 5.448756 | < 1/R > | .591118 | < 1/R**2 > | 1.836860 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.761830 | 1.49265479 |
| 2 | 3p | 4.884303 | -.64066082 |
| 3 | 4p | 6.024448 | .13982759 |
| 4 | 5p | 18.403713 | -.00342650 |
| 5 | 4p | 2.578696 | .01912843 |
| 6 | 4p | 24.176823 | -.00160728 |
| 7 | 5p | 2.574466 | -.00805564 |
| 8 | 3p | 33.778341 | -.00014230 |
| ORB.ENERGY,a.u. | -4.472200 | ||
| NORM | 1.000000 | < R > | .647079 | < R2 > | .515503 | < 1/R > | 1.993807 | < 1/R**2 > | 5.512566 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.878278 | .30716054 |
| 2 | 2s | 3.523193 | -.76185240 |
| 3 | 3s | 6.280635 | -.26733832 |
| 4 | 4s | 17.345236 | .00407574 |
| 5 | 3s | 1.729443 | .02220268 |
| 6 | 5s | 5.838553 | -.05140819 |
| 7 | 2s | 22.801126 | -.00032684 |
| ORB.ENERGY,a.u. | -4.555500 | ||
| NORM | 1.000000 | < R > | .697060 | < R2 > | .572010 | < 1/R > | 2.075565 | < 1/R**2 > | 17.577780 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.255536 | .92477073 |
| 2 | 1s | 16.291694 | .07330118 |
| 3 | 2s | 9.677468 | .01706357 |
| 4 | 3s | 13.867209 | -.01280131 |
| 5 | 4s | 21.344020 | .00334118 |
| 6 | 5s | 2.399783 | -.00096043 |
| 7 | 5s | 8.833787 | .00200323 |
| ORB.ENERGY,a.u. | -42.494000 |
| NORM | 1.000000 | < R > | .142482 | < R2 > | .027300 | < 1/R > | 10.624118 | < 1/R**2 > | 228.074979 |
Total Energy= -155.28145039 a.u.
Kinetic Energy= 155.25321867 a.u.
Potential Energy= -310.53466906 a.u.
Virial Ratio = -2.00018184