(1s 2 2s 2 2p 1 3p 1 ) 3 P O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 1.871390 | .24263759 |
| 2 | 3p | 1.218158 | -1.13177814 |
| 3 | 2p | 5.409215 | .01873667 |
| 4 | 4p | 6.108080 | .00932013 |
| 5 | 5p | 6.937385 | -.00095760 |
| 6 | 5p | 1.131950 | -.00781270 |
| ORB.ENERGY,a.u. | -.673370 | ||
| NORM | 1.000000 | < R > | 3.120317 | < R2 > | 10.861581 | < 1/R > | .365669 | < 1/R**2 > | .173252 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.000760 | .91551691 |
| 2 | 2p | 7.775029 | .02263557 |
| 3 | 3p | 1.207184 | -.21542311 |
| 4 | 4p | 2.935428 | .17383861 |
| 5 | 5p | 9.723885 | .00496134 |
| ORB.ENERGY,a.u. | -2.466800 | ||
| NORM | 1.000000 | < R > | .888077 | < R2 > | 1.084965 | < 1/R > | 1.471140 | < 1/R**2 > | 2.956142 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.282434 | .28697067 |
| 2 | 2s | 2.428776 | -.76078804 |
| 3 | 3s | 4.062780 | -.28564627 |
| 4 | 4s | 14.707610 | .00221224 |
| 5 | 5s | 8.245214 | -.01878290 |
| 6 | 5s | 2.735919 | .02956471 |
| 7 | 4s | 29.595083 | .00003932 |
| 8 | 4s | 2.077862 | -.00983030 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .988361 | < R2 > | 1.152376 | < 1/R > | 1.453865 | < 1/R**2 > | 8.564150 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.353743 | .73288223 |
| 2 | 1s | 10.721651 | .19849485 |
| 3 | 1s | 3.764235 | .00453253 |
| 4 | 2s | 7.711601 | .09831383 |
| 5 | 3s | 8.711090 | -.02318160 |
| 6 | 4s | 14.599411 | .00535734 |
| 7 | 5s | 29.206113 | .00012856 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197858 | < R2 > | .052647 | < 1/R > | 7.658743 | < 1/R**2 > | 118.766928 |
Total Energy= -71.76068943 a.u.
Kinetic Energy= 71.76800173 a.u.
Potential Energy= -143.52869116 a.u.
Virial Ratio = -1.99989811