(1s 2 2s 2 ) 3 S Cl 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3020.
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 | 2s- electron | |
| 1 | 1s | 14.068248 | .41474750 |
| 2 | 2s | 7.158164 | -.80593197 |
| 3 | 3s | 9.042079 | -.29497815 |
| 4 | 5s | 16.481779 | -.01395909 |
| 5 | 4s | 30.335554 | .00233227 |
| 6 | 5s | 9.653722 | -.01006880 |
| 7 | 2s | 60.606305 | -.00002420 |
| 8 | 4s | 2.858765 | .00003235 |
| ORB.ENERGY,a.u. | -27.376000 | ||
| NORM | 1.000000 | < R > | .388188 | < R2 > | .175949 | < 1/R > | 3.793857 | < 1/R**2 > | 57.951302 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.398083 | .94202606 |
| 2 | 1s | 26.541116 | .04458431 |
| 3 | 2s | 21.115348 | .01709398 |
| 4 | 3s | 19.712421 | .00080944 |
| 5 | 4s | 65.880631 | -.00049521 |
| 6 | 5s | 87.078777 | .00018389 |
| 7 | 5s | 19.139769 | .00116080 |
| ORB.ENERGY,a.u. | -128.100000 |
| NORM | 1.000000 | < R > | .090353 | < R2 > | .010921 | < 1/R > | 16.670368 | < 1/R**2 > | 558.738216 |
Total Energy= -335.35704431 a.u.
Kinetic Energy= 335.35704438 a.u.
Potential Energy= -670.71408869 a.u.
Virial Ratio = -2.00000000