(1s 2 2s 1 2p 1 ) 1 P Si 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1121.
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 | 2p- electron | |
| 1 | 2p | 5.917133 | .98666592 |
| 2 | 2p | 11.010142 | .02971530 |
| 3 | 2p | 25.419410 | .00105975 |
| 4 | 3p | 5.288050 | .02914010 |
| 5 | 4p | 8.938122 | -.03735444 |
| 6 | 5p | 46.554808 | .00009040 |
| 7 | 3p | 37.454477 | .00016971 |
| ORB.ENERGY,a.u. | -15.935000 | ||
| NORM | 1.000000 | < R > | .418450 | < R2 > | .212099 | < 1/R > | 3.021992 | < 1/R**2 > | 12.354840 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.970520 | .38376291 |
| 2 | 2s | 5.440062 | -.81007261 |
| 3 | 3s | 7.530344 | -.29196555 |
| 4 | 4s | 22.754928 | .00810825 |
| 5 | 5s | 29.259563 | -.00227180 |
| 6 | 5s | 5.408359 | .00781920 |
| 7 | 3s | 52.255248 | .00006475 |
| 8 | 4s | 3.402604 | -.00063590 |
| ORB.ENERGY,a.u. | -16.839000 | ||
| NORM | 1.000000 | < R > | .487862 | < R2 > | .278424 | < 1/R > | 3.022962 | < 1/R**2 > | 37.289392 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.393598 | .93292765 |
| 2 | 1s | 20.620931 | .05594188 |
| 3 | 2s | 14.371016 | .01545645 |
| 4 | 3s | 6.448564 | .00293952 |
| 5 | 4s | 49.552346 | -.00032231 |
| 6 | 5s | 13.726409 | .00233671 |
| 7 | 3s | 67.685537 | -.00006169 |
| ORB.ENERGY,a.u. | -84.439000 |
| NORM | 1.000000 | < R > | .110787 | < R2 > | .016479 | < 1/R > | 13.635284 | < 1/R**2 > | 374.743309 |
Total Energy= -223.02207813 a.u.
Kinetic Energy= 222.45996797 a.u.
Potential Energy= -445.48204610 a.u.
Virial Ratio = -2.00252679