(1s 2 2s 2 2p 6 3s 2 ) 1 S Si 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 3s- electron | |
| 1 | 1s | 1.172836 | 1.14860254 |
| 2 | 1s | 12.835706 | .05321922 |
| 3 | 2s | 5.557341 | -.51327422 |
| 4 | 3s | 4.140077 | -.47073739 |
| 5 | 4s | 2.090037 | .33048705 |
| 6 | 5s | 16.125406 | -.00330511 |
| 7 | 5s | 1.290638 | -.00722505 |
| 8 | 4s | 65.610794 | -.00000706 |
| ORB.ENERGY,a.u. | -1.176700 | ||
| NORM | 1.000000 | < R > | 1.986275 | < R2 > | 4.508012 | < 1/R > | .668982 | < 1/R**2 > | 2.503528 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.593315 | .43442142 |
| 2 | 3p | 5.859662 | .48816037 |
| 3 | 4p | 4.676270 | .18526247 |
| 4 | 5p | 3.554834 | .01215575 |
| 5 | 2p | 16.801185 | .00419066 |
| 6 | 5p | 33.034132 | -.00016192 |
| 7 | 4p | 114.970929 | .00000138 |
| 8 | 3p | 1.093697 | .00010782 |
| ORB.ENERGY,a.u. | -4.857200 | ||
| NORM | 1.000000 | < R > | .534625 | < R2 > | .358408 | < 1/R > | 2.458940 | < 1/R**2 > | 8.535319 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.454463 | .34927236 |
| 2 | 2s | 5.553855 | -.82100696 |
| 3 | 3s | 4.649717 | -.30573400 |
| 4 | 4s | 20.735486 | .00271630 |
| 5 | 3s | 15.064806 | .00753042 |
| 6 | 2s | 2.000301 | -.00870537 |
| 7 | 5s | 40.712356 | .00011448 |
| 8 | 4s | 2.303949 | .00258586 |
| ORB.ENERGY,a.u. | -6.820300 | ||
| NORM | 1.000000 | < R > | .561812 | < R2 > | .375531 | < 1/R > | 2.595239 | < 1/R**2 > | 27.786038 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.587153 | 1.01399268 |
| 2 | 2s | 19.345527 | -.02229952 |
| 3 | 3s | 9.848240 | .01993953 |
| 4 | 4s | 54.692389 | -.00040581 |
| 5 | 4s | 10.446245 | .00282430 |
| 6 | 5s | 71.706670 | .00013027 |
| 7 | 5s | 11.822335 | -.00876657 |
| 8 | 2s | 190.256693 | .00000083 |
| 9 | 2s | 4.982797 | .00073876 |
| 10 | 4s | 3.932128 | .00001629 |
| ORB.ENERGY,a.u. | -68.889000 |
| NORM | 1.000000 | < R > | .111420 | < R2 > | .016697 | < 1/R > | 13.581971 | < 1/R**2 > | 372.416367 |
Total Energy= -287.99589747 a.u.
Kinetic Energy= 287.99589541 a.u.
Potential Energy= -575.99179288 a.u.
Virial Ratio = -2.00000001