(1s 2 2s 2 2p 4 3s 1 ) 2 P P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2130.
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 | 12.540898 | .13693765 |
| 2 | 2s | 4.307130 | -.67376281 |
| 3 | 3s | 2.838258 | 1.31384344 |
| 4 | 4s | 11.298809 | -.02753497 |
| 5 | 5s | 19.198731 | -.00400849 |
| 6 | 3s | 17.480610 | -.00264719 |
| 7 | 4s | 2.697034 | -.00883596 |
| ORB.ENERGY,a.u. | -3.851200 | ||
| NORM | 1.000000 | < R > | 1.394507 | < R2 > | 2.188893 | < 1/R > | .972728 | < 1/R**2 > | 5.419080 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.106357 | 1.19062025 |
| 2 | 3p | 5.914216 | -.25966090 |
| 3 | 2p | 11.597984 | .06592256 |
| 4 | 4p | 13.873153 | .01120022 |
| 5 | 5p | 3.421294 | .00022824 |
| 6 | 5p | 34.330116 | -.00017631 |
| ORB.ENERGY,a.u. | -10.355000 | ||
| NORM | 1.000000 | < R > | .442403 | < R2 > | .240309 | < 1/R > | 2.905125 | < 1/R**2 > | 11.638763 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.247067 | .33629556 |
| 2 | 2s | 5.262070 | -.78202436 |
| 3 | 3s | 8.327026 | -.24402134 |
| 4 | 4s | 6.642239 | -.04899347 |
| 5 | 5s | 17.688746 | -.00950507 |
| 6 | 4s | 3.648008 | .01060485 |
| 7 | 2s | 17.749075 | .00038379 |
| 8 | 3s | 1.464379 | .00650819 |
| 9 | 3s | 47.836297 | -.00006376 |
| 10 | 5s | 1.851215 | -.00405763 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .486497 | < R2 > | .278156 | < 1/R > | 2.999035 | < 1/R**2 > | 36.741325 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.257746 | .91044549 |
| 2 | 1s | 20.091125 | .08291040 |
| 3 | 2s | 6.749788 | .02339250 |
| 4 | 3s | 5.581998 | -.03960743 |
| 5 | 4s | 6.329545 | .02705910 |
| 6 | 5s | 22.343723 | .00166526 |
| 7 | 4s | 29.668147 | .00260877 |
| 8 | 5s | 3.151006 | -.00037265 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103560 | < R2 > | .014404 | < 1/R > | 14.595028 | < 1/R**2 > | 429.577793 |
Total Energy= -320.57443983 a.u.
Kinetic Energy= 320.53034183 a.u.
Potential Energy= -641.10478166 a.u.
Virial Ratio = -2.00013758