(1s 2 2s 2 2p 1 3p 1 ) 1 P Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 4.566629 | .65259993 |
| 2 | 3p | 3.188428 | -1.32413243 |
| 3 | 2p | 9.556973 | .06025921 |
| 4 | 4p | 11.560793 | .01449815 |
| 5 | 5p | 2.779060 | .01412009 |
| 6 | 4p | 2.245354 | -.00709177 |
| 7 | 5p | 36.749841 | -.00009572 |
| ORB.ENERGY,a.u. | -5.159300 | ||
| NORM | 1.000000 | < R > | 1.218905 | < R2 > | 1.701006 | < 1/R > | 1.118127 | < 1/R**2 > | 2.584450 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.652428 | 1.10852003 |
| 2 | 3p | 6.973456 | -.12964911 |
| 3 | 5p | 3.136448 | .00091700 |
| 4 | 2p | 14.070597 | .01375404 |
| 5 | 5p | 11.741714 | .00597256 |
| 6 | 4p | 3.837700 | .00488967 |
| 7 | 5p | 18.195676 | .00364430 |
| 8 | 4p | 3.292229 | -.00418030 |
| ORB.ENERGY,a.u. | -13.882000 | ||
| NORM | 1.000000 | < R > | .430625 | < R2 > | .224665 | < 1/R > | 2.938453 | < 1/R**2 > | 11.700118 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.168137 | .36266432 |
| 2 | 2s | 5.166208 | -.80472201 |
| 3 | 3s | 7.614707 | -.28035368 |
| 4 | 4s | 26.466962 | .00131911 |
| 5 | 5s | 14.809118 | -.01152344 |
| 6 | 5s | 6.017174 | .01711799 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .496439 | < R2 > | .288732 | < 1/R > | 2.948978 | < 1/R**2 > | 35.218285 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.159451 | .92630859 |
| 2 | 1s | 20.324385 | .07390689 |
| 3 | 2s | 12.044613 | .01894096 |
| 4 | 3s | 15.011091 | -.01668345 |
| 5 | 4s | 72.521780 | -.00005688 |
| 6 | 5s | 32.250210 | .00093690 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110596 | < R2 > | .016393 | < 1/R > | 13.645140 | < 1/R**2 > | 375.088885 |
Total Energy= -243.61687333 a.u.
Kinetic Energy= 243.71292726 a.u.
Potential Energy= -487.32980059 a.u.
Virial Ratio = -1.99960587