(1s 2 2s 2 2p 1 5p 1 ) 3 P O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 2p | 1.530463 | .21250845 |
| 2 | 3p | .949722 | -1.70263535 |
| 3 | 4p | .660913 | 6.13321586 |
| 4 | 5p | .653789 | -4.36911851 |
| 5 | 2p | 5.047839 | .01708743 |
| 6 | 5p | 1.580829 | .09709986 |
| 7 | 5p | .737428 | -1.14344584 |
| 8 | 4p | 5.828657 | .00696999 |
| ORB.ENERGY,a.u. | -.209500 | ||
| NORM | .999993 | < R > | 10.435471 | < R2 > | 122.364508 | < 1/R > | .128390 | < 1/R**2 > | .039921 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.882414 | .92338397 |
| 2 | 3p | .412842 | -.33817115 |
| 3 | 2p | 6.663971 | .03489693 |
| 4 | 5p | 3.327870 | .08601231 |
| 5 | 4p | 12.574838 | -.00233177 |
| 6 | 5p | .906063 | .18178167 |
| 7 | 4p | .439205 | .16429672 |
| 8 | 2p | 19.791521 | .00015193 |
| ORB.ENERGY,a.u. | -2.696700 | ||
| NORM | 1.000000 | < R > | .921714 | < R2 > | 1.275505 | < 1/R > | 1.418844 | < 1/R**2 > | 2.774126 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.288616 | .28792664 |
| 2 | 2s | 2.417524 | -.76601686 |
| 3 | 3s | 4.071122 | -.28676943 |
| 4 | 4s | 13.958686 | .00109663 |
| 5 | 5s | 8.260734 | -.02055842 |
| 6 | 5s | 2.813108 | .03167749 |
| 7 | 4s | 16.537368 | .00078668 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .983513 | < R2 > | 1.139620 | < 1/R > | 1.460568 | < 1/R**2 > | 8.637398 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.355021 | .73309262 |
| 2 | 1s | 10.722776 | .19848058 |
| 3 | 1s | 3.630026 | .00403528 |
| 4 | 2s | 7.716314 | .09858210 |
| 5 | 3s | 8.687979 | -.02314670 |
| 6 | 4s | 14.561942 | .00530204 |
| 7 | 5s | 28.472459 | .00014522 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197803 | < R2 > | .052611 | < 1/R > | 7.660120 | < 1/R**2 > | 118.799897 |
Total Energy= -71.30393964 a.u.
Kinetic Energy= 71.30419264 a.u.
Potential Energy= -142.60813228 a.u.
Virial Ratio = -1.99999645