(1s 2 2s 2 2p 3 ) 2 P Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 6.583991 | 1.16814805 |
| 2 | 3p | 8.104187 | -.19144731 |
| 3 | 2p | 15.571397 | .02206058 |
| 4 | 4p | 18.157067 | .00423260 |
| 5 | 5p | 37.921941 | -.00023948 |
| 6 | 5p | 5.208893 | .00250673 |
| 7 | 4p | 4.002026 | -.00113845 |
| ORB.ENERGY,a.u. | -18.808000 | ||
| NORM | 1.000000 | < R > | .363932 | < R2 > | .161387 | < 1/R > | 3.500422 | < 1/R**2 > | 16.726396 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.428659 | .41749782 |
| 2 | 2s | 7.369072 | -.86215734 |
| 3 | 3s | 7.263733 | -.28725389 |
| 4 | 4s | 28.837671 | .00192773 |
| 5 | 3s | 15.831902 | .01433691 |
| 6 | 5s | 7.313755 | -.01589768 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .411907 | < R2 > | .199109 | < 1/R > | 3.560600 | < 1/R**2 > | 51.584486 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.045391 | .92474178 |
| 2 | 1s | 24.552038 | .07382683 |
| 3 | 2s | 15.782848 | .01949840 |
| 4 | 3s | 19.976684 | -.01459972 |
| 5 | 5s | 40.842892 | .00079877 |
| 6 | 4s | 16.014482 | -.00187449 |
| 7 | 5s | 15.926768 | .00184928 |
| 8 | 3s | 66.272542 | -.00006758 |
| 9 | 4s | 9.008894 | .00019833 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090884 | < R2 > | .011077 | < 1/R > | 16.607147 | < 1/R**2 > | 555.437049 |
Total Energy= -400.66535700 a.u.
Kinetic Energy= 399.95283327 a.u.
Potential Energy= -800.61819027 a.u.
Virial Ratio = -2.00178152