(1s 2 2s 2 2p 2 5p 1 ) 2 D Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
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 | 3.654373 | .33124371 |
| 2 | 3p | 1.958847 | -3.14373457 |
| 3 | 4p | 1.757475 | 7.16670100 |
| 4 | 5p | 1.679197 | -4.94497417 |
| 5 | 2p | 8.523972 | .03825139 |
| 6 | 5p | 27.901913 | -.00040040 |
| 7 | 5p | 1.295688 | -.01995909 |
| 8 | 4p | 40.882309 | -.00009304 |
| ORB.ENERGY,a.u. | -1.387600 | ||
| NORM | .999998 | < R > | 4.210998 | < R2 > | 19.936451 | < 1/R > | .335779 | < 1/R**2 > | .370611 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.533610 | 1.25224899 |
| 2 | 3p | 7.339032 | -.31073226 |
| 3 | 4p | 9.395726 | .05725813 |
| 4 | 5p | 2.092106 | .05993761 |
| 5 | 4p | 1.524128 | -.06042520 |
| 6 | 5p | 29.244935 | -.00118150 |
| 7 | 5p | 50.824854 | -.00010752 |
| 8 | 3p | 30.519213 | -.00026862 |
| ORB.ENERGY,a.u. | -12.556000 | ||
| NORM | 1.000000 | < R > | .445879 | < R2 > | .243825 | < 1/R > | 2.852315 | < 1/R**2 > | 11.078922 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.235328 | .39973713 |
| 2 | 2s | 5.921139 | -.84562515 |
| 3 | 3s | 6.126098 | -.27719169 |
| 4 | 4s | 23.010148 | .00230328 |
| 5 | 3s | 13.540914 | .01585963 |
| 6 | 5s | 6.102216 | -.02987452 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .506728 | < R2 > | .301256 | < 1/R > | 2.884310 | < 1/R**2 > | 33.799882 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.161775 | .92627471 |
| 2 | 1s | 20.402423 | .07282386 |
| 3 | 2s | 12.149879 | .01941288 |
| 4 | 3s | 15.602836 | -.01547487 |
| 5 | 5s | 32.758462 | .00104703 |
| 6 | 4s | 78.261413 | -.00004125 |
| 7 | 5s | 10.343613 | .00043617 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110794 | < R2 > | .016465 | < 1/R > | 13.629743 | < 1/R**2 > | 374.435149 |
Total Energy= -252.85871105 a.u.
Kinetic Energy= 252.84943212 a.u.
Potential Energy= -505.70814318 a.u.
Virial Ratio = -2.00003670