(1s 2 2s 2 2p 4 3p 1 ) 4 P Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4131.
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 | 3p- electron | |
| 1 | 2p | 4.651117 | .36805427 |
| 2 | 3p | 2.315033 | -.87782338 |
| 3 | 4p | 2.971622 | -.21281490 |
| 4 | 2p | 8.699803 | .07374907 |
| 5 | 5p | 12.752934 | .00594307 |
| 6 | 5p | 33.195289 | -.00041533 |
| 7 | 4p | 50.059510 | -.00007627 |
| ORB.ENERGY,a.u. | -2.651200 | ||
| NORM | 1.000000 | < R > | 1.568778 | < R2 > | 2.822975 | < 1/R > | .867846 | < 1/R**2 > | 1.647035 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.564478 | 1.27417742 |
| 2 | 2p | 10.926197 | .06279363 |
| 3 | 3p | 5.339918 | -.34217438 |
| 4 | 4p | 12.845156 | .01187079 |
| 5 | 5p | 31.153599 | -.00017913 |
| 6 | 5p | 3.286671 | .01260257 |
| 7 | 4p | 3.062915 | -.01175666 |
| ORB.ENERGY,a.u. | -8.250000 | ||
| NORM | 1.000000 | < R > | .487130 | < R2 > | .292701 | < 1/R > | 2.649698 | < 1/R**2 > | 9.722571 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.341147 | .37258128 |
| 2 | 2s | 5.737285 | -.83916109 |
| 3 | 3s | 5.176694 | -.29545710 |
| 4 | 4s | 16.350301 | .01024449 |
| 5 | 3s | 20.244260 | .00510054 |
| 6 | 5s | 28.455859 | .00086494 |
| 7 | 5s | 4.696049 | -.00737601 |
| 8 | 2s | 58.769866 | .00002469 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .534835 | < R2 > | .337831 | < 1/R > | 2.727078 | < 1/R**2 > | 30.463564 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.202796 | .91804224 |
| 2 | 1s | 19.502937 | .07893690 |
| 3 | 2s | 8.270241 | .01920545 |
| 4 | 3s | 10.159254 | -.01927926 |
| 5 | 4s | 12.435718 | .00942474 |
| 6 | 5s | 33.714925 | .00088381 |
| 7 | 4s | 77.782151 | -.00003710 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111190 | < R2 > | .016610 | < 1/R > | 13.599152 | < 1/R**2 > | 373.138744 |
Total Energy= -274.20138141 a.u.
Kinetic Energy= 274.26593640 a.u.
Potential Energy= -548.46731781 a.u.
Virial Ratio = -1.99976463