(1s 2 2s 2 2p 4 4s 1 ) 4 P Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4140.
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 | 11.832422 | .08256407 |
| 2 | 2s | 2.444827 | -1.36788999 |
| 3 | 3s | 2.575994 | 2.54782754 |
| 4 | 4s | 1.689267 | -1.61066393 |
| 5 | 5s | 3.851940 | -.23490975 |
| 6 | 4s | 11.586063 | -.02104581 |
| 7 | 5s | 26.259454 | -.00088829 |
| 8 | 5s | 1.447682 | .07477775 |
| 9 | 4s | 41.205735 | -.00020939 |
| 10 | 4s | 1.015582 | -.01067249 |
| ORB.ENERGY,a.u. | -1.503100 | ||
| NORM | 1.000000 | < R > | 3.017290 | < R2 > | 10.227685 | < 1/R > | .468574 | < 1/R**2 > | 1.769789 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.646288 | 1.20790974 |
| 2 | 3p | 5.440552 | -.27881657 |
| 3 | 2p | 10.803169 | .06668240 |
| 4 | 4p | 12.558336 | .01356054 |
| 5 | 5p | 32.414148 | -.00012898 |
| 6 | 5p | 1.791035 | -.00016441 |
| ORB.ENERGY,a.u. | -8.555300 | ||
| NORM | 1.000000 | < R > | .484708 | < R2 > | .289069 | < 1/R > | 2.658228 | < 1/R**2 > | 9.773196 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.426857 | .32556565 |
| 2 | 2s | 4.790278 | -.77274902 |
| 3 | 3s | 7.809061 | -.23851692 |
| 4 | 4s | 6.205470 | -.05261093 |
| 5 | 5s | 16.375442 | -.00980528 |
| 6 | 4s | 1.668622 | .02132560 |
| 7 | 3s | 1.423582 | -.01918209 |
| 8 | 3s | 49.806065 | -.00006696 |
| 9 | 4s | 97.180896 | .00000822 |
| 10 | 5s | .942491 | .00014468 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .533626 | < R2 > | .336184 | < 1/R > | 2.733192 | < 1/R**2 > | 30.589943 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.198612 | .91831251 |
| 2 | 1s | 19.410358 | .07966850 |
| 3 | 2s | 6.952961 | .02162993 |
| 4 | 3s | 8.679176 | -.02374618 |
| 5 | 4s | 11.219887 | .01021992 |
| 6 | 5s | 33.590916 | .00074073 |
| 7 | 3s | 49.815996 | -.00010890 |
| 8 | 5s | 1.462385 | -.00021252 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111164 | < R2 > | .016602 | < 1/R > | 13.601162 | < 1/R**2 > | 373.223481 |
Total Energy= -273.11003406 a.u.
Kinetic Energy= 273.11711447 a.u.
Potential Energy= -546.22714852 a.u.
Virial Ratio = -1.99997408