(1s 2 2s 2 2p 2 3p 1 ) 2 P P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 2p | 4.190550 | .72175215 |
| 2 | 3p | 3.196862 | -1.39225429 |
| 3 | 2p | 11.168119 | .03648323 |
| 4 | 4p | 6.773168 | -.09267957 |
| 5 | 5p | 7.706363 | .03460245 |
| 6 | 5p | 19.600351 | .00178981 |
| ORB.ENERGY,a.u. | -5.084800 | ||
| NORM | 1.000000 | < R > | 1.251743 | < R2 > | 1.762563 | < 1/R > | 1.016867 | < 1/R**2 > | 1.975400 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.923359 | 1.31315520 |
| 2 | 3p | 7.678706 | -.37519326 |
| 3 | 2p | 2.216306 | -.06981999 |
| 4 | 4p | 9.567190 | .09287739 |
| 5 | 5p | 18.795189 | .00412812 |
| 6 | 5p | 2.763168 | .01040135 |
| 7 | 3p | 22.021592 | -.00023280 |
| ORB.ENERGY,a.u. | -14.398000 | ||
| NORM | 1.000000 | < R > | .400127 | < R2 > | .192663 | < 1/R > | 3.146041 | < 1/R**2 > | 13.376895 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.959702 | .40853947 |
| 2 | 2s | 6.411800 | -.85522693 |
| 3 | 3s | 6.552485 | -.28080973 |
| 4 | 4s | 24.876607 | .00216448 |
| 5 | 3s | 14.346164 | .01546217 |
| 6 | 5s | 6.238661 | -.02223774 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .468759 | < R2 > | .257822 | < 1/R > | 3.123592 | < 1/R**2 > | 39.640236 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.106838 | .92218857 |
| 2 | 1s | 21.634504 | .07674231 |
| 3 | 2s | 13.481462 | .01933870 |
| 4 | 3s | 16.748762 | -.01552952 |
| 5 | 5s | 35.285603 | .00091870 |
| 6 | 4s | 82.525568 | -.00004088 |
| 7 | 5s | 12.729829 | .00062850 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103222 | < R2 > | .014288 | < 1/R > | 14.624935 | < 1/R**2 > | 430.938858 |
Total Energy= -296.88271202 a.u.
Kinetic Energy= 296.77619102 a.u.
Potential Energy= -593.65890304 a.u.
Virial Ratio = -2.00035893