(1s 2 2s 2 ) 1 S Cl 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1020.
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 | 14.053526 | .41539500 |
| 2 | 2s | 7.167808 | -.81093657 |
| 3 | 3s | 8.864870 | -.29724120 |
| 4 | 5s | 16.689320 | -.01576903 |
| 5 | 4s | 34.015207 | .00220586 |
| 6 | 5s | 50.315770 | -.00034837 |
| 7 | 4s | 2.809200 | .00003031 |
| ORB.ENERGY,a.u. | -27.376000 | ||
| NORM | 1.000000 | < R > | .388188 | < R2 > | .175949 | < 1/R > | 3.793857 | < 1/R**2 > | 57.951282 |
| 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= -335.35704313 a.u.
Kinetic Energy= 335.35704743 a.u.
Potential Energy= -670.71409055 a.u.
Virial Ratio = -1.99999999