(1s 2 2s 2 2p 2 5s 1 ) 2 P Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2150.
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 | 5s- electron | |
| 1 | 1s | 11.036140 | .07519519 |
| 2 | 2s | 3.663069 | -.54943972 |
| 3 | 3s | 2.238750 | 2.71657077 |
| 4 | 4s | 1.858627 | -5.75828953 |
| 5 | 5s | 1.717002 | 4.13218874 |
| 6 | 5s | 13.839087 | -.00265996 |
| 7 | 4s | 26.341247 | .00041299 |
| ORB.ENERGY,a.u. | -1.467800 | ||
| NORM | 1.000000 | < R > | 4.101120 | < R2 > | 18.821084 | < 1/R > | .349521 | < 1/R**2 > | 1.174964 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.332640 | 1.15694367 |
| 2 | 3p | 6.322525 | -.17988281 |
| 3 | 2p | 13.838697 | .01974953 |
| 4 | 4p | 16.627590 | .00757807 |
| 5 | 5p | 23.779134 | -.00175981 |
| 6 | 5p | 3.456494 | .00024511 |
| 7 | 4p | 64.559130 | .00003327 |
| ORB.ENERGY,a.u. | -12.570000 | ||
| NORM | 1.000000 | < R > | .446421 | < R2 > | .242342 | < 1/R > | 2.847302 | < 1/R**2 > | 11.045305 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.037364 | .41105625 |
| 2 | 2s | 6.040804 | -.86172573 |
| 3 | 3s | 6.142121 | -.27285519 |
| 4 | 4s | 23.642922 | .00279482 |
| 5 | 3s | 12.099931 | .02732808 |
| 6 | 5s | 6.490473 | -.04279289 |
| 7 | 4s | 1.732146 | -.01989415 |
| 8 | 3s | .873308 | .03822766 |
| 9 | 5s | 1.083708 | -.02155277 |
| 10 | 5s | 66.257217 | .00002312 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .506220 | < R2 > | .300850 | < 1/R > | 2.887844 | < 1/R**2 > | 33.879318 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.161087 | .92635462 |
| 2 | 1s | 20.414291 | .07276025 |
| 3 | 2s | 12.176812 | .01942053 |
| 4 | 3s | 15.577356 | -.01546830 |
| 5 | 5s | 32.885959 | .00097261 |
| 6 | 4s | 75.070996 | -.00004625 |
| 7 | 5s | 10.289600 | .00056541 |
| 8 | 3s | 1.400760 | -.00341824 |
| 9 | 4s | 1.887059 | .00336653 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110793 | < R2 > | .016467 | < 1/R > | 13.629844 | < 1/R**2 > | 374.439321 |
Total Energy= -252.93615954 a.u.
Kinetic Energy= 252.92840411 a.u.
Potential Energy= -505.86456365 a.u.
Virial Ratio = -2.00003066