(1s 2 2s 2 5p 1 ) 2 P Si 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 2p | 1.671458 | 3.59304760 |
| 2 | 3p | 2.604043 | -5.06219895 |
| 3 | 4p | 2.065924 | 6.03309245 |
| 4 | 5p | 2.022995 | -5.66236505 |
| 5 | 2p | 8.687802 | .04879507 |
| 6 | 5p | 9.305113 | .01320296 |
| 7 | 4p | 11.881114 | .01114606 |
| 8 | 5p | 1.635546 | .03501041 |
| ORB.ENERGY,a.u. | -2.092900 | ||
| NORM | 1.000002 | < R > | 3.489487 | < R2 > | 13.704697 | < 1/R > | .418625 | < 1/R**2 > | .617365 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.034945 | .38003998 |
| 2 | 2s | 5.357630 | -.81148079 |
| 3 | 3s | 7.702643 | -.28661919 |
| 4 | 5s | 13.835590 | -.01419333 |
| 5 | 4s | 27.233479 | .00263429 |
| 6 | 5s | 6.093248 | .02608537 |
| 7 | 5s | 40.069139 | -.00039160 |
| ORB.ENERGY,a.u. | -16.939000 | ||
| NORM | 1.000000 | < R > | .482419 | < R2 > | .271868 | < 1/R > | 3.039869 | < 1/R**2 > | 37.239091 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.196963 | .93392383 |
| 2 | 1s | 21.131706 | .06486725 |
| 3 | 2s | 14.372592 | .01951813 |
| 4 | 3s | 15.974863 | -.01652295 |
| 5 | 5s | 31.637701 | .00111173 |
| 6 | 4s | 72.912639 | -.00005981 |
| 7 | 5s | 14.767679 | -.00021789 |
| ORB.ENERGY,a.u. | -84.026000 |
| NORM | 1.000000 | < R > | .110285 | < R2 > | .016282 | < 1/R > | 13.670208 | < 1/R**2 > | 376.164864 |
Total Energy= -225.91371098 a.u.
Kinetic Energy= 225.91370207 a.u.
Potential Energy= -451.82741304 a.u.
Virial Ratio = -2.00000004