(1s 2 2s 2 2p 3 4s 1 ) 5 S P 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5040.
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 | 4s- electron | |
| 1 | 1s | 12.185207 | .10443589 |
| 2 | 2s | 2.998395 | -1.39738620 |
| 3 | 3s | 2.913056 | 2.93431030 |
| 4 | 4s | 2.221424 | -1.96837596 |
| 5 | 5s | 4.226152 | -.22117209 |
| 6 | 4s | 12.542500 | -.01838303 |
| 7 | 5s | 17.508575 | .00115789 |
| 8 | 4s | 51.684578 | -.00005381 |
| 9 | 5s | 1.095848 | .00031438 |
| ORB.ENERGY,a.u. | -2.475500 | ||
| NORM | 1.000000 | < R > | 2.440855 | < R2 > | 6.692694 | < 1/R > | .588672 | < 1/R**2 > | 2.825317 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.735350 | 1.33705373 |
| 2 | 3p | 7.306289 | -.42397908 |
| 3 | 4p | 8.993637 | .08283246 |
| 4 | 5p | 26.323616 | -.00215449 |
| 5 | 4p | 3.647825 | .00796851 |
| 6 | 4p | 34.597745 | -.00100641 |
| 7 | 5p | 3.710121 | -.00461205 |
| 8 | 3p | 11.896508 | -.00001901 |
| 9 | 3p | 49.987959 | -.00007598 |
| ORB.ENERGY,a.u. | -13.183000 | ||
| NORM | 1.000000 | < R > | .423427 | < R2 > | .218674 | < 1/R > | 3.012005 | < 1/R**2 > | 12.404580 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.866940 | .40410046 |
| 2 | 2s | 6.389035 | -.86910781 |
| 3 | 3s | 5.929002 | -.29048924 |
| 4 | 4s | 25.364391 | .00200676 |
| 5 | 3s | 13.827402 | .01860435 |
| 6 | 5s | 4.382450 | -.00705198 |
| 7 | 4s | 2.113691 | .00773891 |
| ORB.ENERGY,a.u. | -12.886000 | ||
| NORM | 1.000000 | < R > | .478862 | < R2 > | .269651 | < 1/R > | 3.053948 | < 1/R**2 > | 38.020862 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.174759 | .93112268 |
| 2 | 1s | 21.753929 | .06747249 |
| 3 | 2s | 11.840335 | .01850964 |
| 4 | 3s | 16.937981 | -.01537635 |
| 5 | 4s | 24.932541 | .00295430 |
| 6 | 5s | 45.623690 | .00032846 |
| 7 | 5s | 5.844733 | .00039102 |
| 8 | 4s | 1.780417 | -.00041061 |
| ORB.ENERGY,a.u. | -86.684000 |
| NORM | 1.000000 | < R > | .103374 | < R2 > | .014341 | < 1/R > | 14.611374 | < 1/R**2 > | 430.320395 |
Total Energy= -307.84770880 a.u.
Kinetic Energy= 307.86209635 a.u.
Potential Energy= -615.70980515 a.u.
Virial Ratio = -1.99995327