(1s 2 2s 2 2p 2 3p 1 ) 2 P O +
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 | 3p | .849268 | -1.07233225 |
| 2 | 2p | 1.554430 | .20037012 |
| 3 | 2p | 4.875035 | .03007410 |
| 4 | 4p | 5.346517 | .01836177 |
| 5 | 5p | 6.308205 | -.00529850 |
| 6 | 5p | .801796 | -.01721191 |
| ORB.ENERGY,a.u. | -.316540 | ||
| NORM | 1.000000 | < R > | 4.400758 | < R2 > | 21.742250 | < 1/R > | .265983 | < 1/R**2 > | .107099 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.261126 | .77795013 |
| 2 | 2p | 4.038560 | .22617174 |
| 3 | 2p | 8.583233 | .01092986 |
| 4 | 3p | 3.564239 | .03177164 |
| 5 | 4p | 1.040923 | -.04569099 |
| 6 | 5p | 23.197203 | .00011291 |
| 7 | 5p | .800243 | -.00432136 |
| 8 | 4p | 15.375919 | -.00076907 |
| ORB.ENERGY,a.u. | -1.643600 | ||
| NORM | 1.000000 | < R > | .970391 | < R2 > | 1.175044 | < 1/R > | 1.332651 | < 1/R**2 > | 2.472771 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.680374 | .31062639 |
| 2 | 2s | 2.918148 | -.84535019 |
| 3 | 3s | 2.486628 | -.26803027 |
| 4 | 4s | 9.651437 | .01865232 |
| 5 | 3s | 11.305478 | .00697973 |
| 6 | 5s | 1.688571 | -.00115497 |
| 7 | 5s | 19.358761 | .00069206 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.036562 | < R2 > | 1.275606 | < 1/R > | 1.384907 | < 1/R**2 > | 7.806499 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.339503 | .73690786 |
| 2 | 1s | 10.790294 | .19547845 |
| 3 | 1s | 2.257285 | .00417521 |
| 4 | 2s | 7.730964 | .09951348 |
| 5 | 3s | 8.876842 | -.02279282 |
| 6 | 4s | 15.085419 | .00462640 |
| 7 | 5s | 3.830836 | -.00078477 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198243 | < R2 > | .052905 | < 1/R > | 7.649807 | < 1/R**2 > | 118.557696 |
Total Energy= -73.42786200 a.u.
Kinetic Energy= 73.41672799 a.u.
Potential Energy= -146.84458999 a.u.
Virial Ratio = -2.00015166