(1s 2 2s 2 2p 1 4s 1 ) 3 P O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 4s- electron | |
| 1 | 1s | 6.920857 | .06793954 |
| 2 | 2s | 1.811565 | -.52851673 |
| 3 | 3s | 1.463650 | 1.07346441 |
| 4 | 4s | .892008 | -1.63087971 |
| 5 | 5s | 5.517083 | -.00691837 |
| 6 | 5s | 1.439334 | .50044148 |
| 7 | 4s | 6.206300 | -.02359913 |
| 8 | 5s | 18.264222 | .00017056 |
| ORB.ENERGY,a.u. | -.387100 | ||
| NORM | 1.000000 | < R > | 5.856451 | < R2 > | 38.520379 | < 1/R > | .237803 | < 1/R**2 > | .434127 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.623151 | .78321746 |
| 2 | 2p | 3.818581 | .22647828 |
| 3 | 2p | 9.541852 | .00685493 |
| 4 | 3p | 4.587854 | -.03536474 |
| 5 | 4p | 2.816790 | .04236744 |
| 6 | 4p | 13.208148 | -.00075225 |
| 7 | 5p | 1.584960 | -.00271171 |
| 8 | 3p | 1.656727 | .01021491 |
| ORB.ENERGY,a.u. | -2.605600 | ||
| NORM | 1.000000 | < R > | .911018 | < R2 > | 1.016444 | < 1/R > | 1.408201 | < 1/R**2 > | 2.736061 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.288375 | .28785205 |
| 2 | 2s | 2.414430 | -.76661233 |
| 3 | 3s | 4.067191 | -.28512324 |
| 4 | 4s | 19.254598 | -.00047814 |
| 5 | 5s | 8.233668 | -.02183280 |
| 6 | 5s | 2.865048 | .03312070 |
| 7 | 4s | 16.542819 | .00190155 |
| 8 | 4s | .830608 | .00873597 |
| 9 | 2s | 30.577361 | -.00000901 |
| 10 | 2s | .580359 | -.00646190 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .984195 | < R2 > | 1.141823 | < 1/R > | 1.459952 | < 1/R**2 > | 8.631897 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.349550 | .73387028 |
| 2 | 1s | 10.728603 | .19853052 |
| 3 | 1s | 3.394600 | .00345821 |
| 4 | 2s | 7.698500 | .09929961 |
| 5 | 3s | 8.577839 | -.02328597 |
| 6 | 4s | 14.894686 | .00445048 |
| 7 | 5s | 46.215483 | -.00001269 |
| 8 | 3s | 35.235597 | -.00002872 |
| 9 | 4s | .505741 | -.00014601 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197794 | < R2 > | .052607 | < 1/R > | 7.660315 | < 1/R**2 > | 118.803974 |
Total Energy= -71.47995598 a.u.
Kinetic Energy= 71.48165168 a.u.
Potential Energy= -142.96160765 a.u.
Virial Ratio = -1.99997628