(1s 2 2s 2 2p 3 5s 1 ) 3 S S 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
| 1 | 1s | 12.650831 | .07413196 |
| 2 | 2s | 4.275561 | -.51225926 |
| 3 | 3s | 2.450102 | 2.92233932 |
| 4 | 4s | 2.151854 | -5.63417338 |
| 5 | 5s | 1.929986 | 3.72690536 |
| 6 | 5s | 17.376976 | -.00266475 |
| 7 | 4s | 34.199380 | .00010361 |
| ORB.ENERGY,a.u. | -1.868900 | ||
| NORM | .999997 | < R > | 3.624971 | < R2 > | 14.705114 | < 1/R > | .395112 | < 1/R**2 > | 1.503863 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.263189 | 1.29633616 |
| 2 | 3p | 7.975082 | -.36587264 |
| 3 | 4p | 9.693024 | .06653903 |
| 4 | 5p | 34.618659 | -.00027444 |
| 5 | 4p | 3.613491 | .01415383 |
| 6 | 3p | 18.644309 | -.00344748 |
| 7 | 5p | 3.970872 | -.01048796 |
| ORB.ENERGY,a.u. | -16.099000 | ||
| NORM | 1.000000 | < R > | .389823 | < R2 > | .185057 | < 1/R > | 3.265769 | < 1/R**2 > | 14.551969 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.701026 | .36514787 |
| 2 | 2s | 6.069692 | -.80066153 |
| 3 | 3s | 8.844071 | -.25214775 |
| 4 | 4s | 25.921829 | .00313344 |
| 5 | 5s | 8.173618 | -.04681988 |
| 6 | 4s | 1.816200 | .02393263 |
| 7 | 5s | 2.450337 | -.02380658 |
| 8 | 2s | 38.540205 | -.00012183 |
| ORB.ENERGY,a.u. | -15.605000 | ||
| NORM | 1.000000 | < R > | .442392 | < R2 > | .230021 | < 1/R > | 3.311116 | < 1/R**2 > | 44.643168 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.176957 | .93712681 |
| 2 | 1s | 23.610690 | .06075631 |
| 3 | 2s | 13.705398 | .01844720 |
| 4 | 3s | 19.051116 | -.01479541 |
| 5 | 4s | 28.374521 | .00265259 |
| 6 | 5s | 50.852954 | .00020137 |
| 7 | 5s | 12.342428 | .00074825 |
| 8 | 4s | 2.074281 | .00315248 |
| 9 | 3s | 1.516506 | -.00321238 |
| ORB.ENERGY,a.u. | -100.270000 |
| NORM | 1.000000 | < R > | .096739 | < R2 > | .012557 | < 1/R > | 15.608106 | < 1/R**2 > | 490.829545 |
Total Energy= -353.28098706 a.u.
Kinetic Energy= 353.27014381 a.u.
Potential Energy= -706.55113088 a.u.
Virial Ratio = -2.00003069