(1s 2 2s 2 2p 1 5p 1 ) 3 S O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
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 | 2.036536 | .16113778 |
| 2 | 3p | .895190 | -1.54104269 |
| 3 | 4p | .652646 | 5.68253243 |
| 4 | 5p | .647698 | -3.94119859 |
| 5 | 2p | 4.940415 | .02984849 |
| 6 | 5p | .949860 | .16228960 |
| 7 | 5p | .693901 | -1.23673142 |
| 8 | 4p | 5.795601 | .01233264 |
| ORB.ENERGY,a.u. | -.207920 | ||
| NORM | .999993 | < R > | 10.521923 | < R2 > | 124.424375 | < 1/R > | .134549 | < 1/R**2 > | .064768 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.629518 | .82965028 |
| 2 | 2p | 4.097957 | .17542142 |
| 3 | 2p | 9.478845 | .00693226 |
| 4 | 3p | 4.941288 | -.01750540 |
| 5 | 4p | 2.658327 | .03661612 |
| 6 | 4p | 13.546201 | -.00074188 |
| ORB.ENERGY,a.u. | -2.695100 | ||
| NORM | 1.000000 | < R > | .908004 | < R2 > | 1.009273 | < 1/R > | 1.412205 | < 1/R**2 > | 2.750286 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.288787 | .28791503 |
| 2 | 2s | 2.417081 | -.76615412 |
| 3 | 3s | 4.072291 | -.28678545 |
| 4 | 4s | 13.942811 | .00113619 |
| 5 | 5s | 8.260794 | -.02049450 |
| 6 | 5s | 2.813279 | .03178984 |
| 7 | 4s | 16.600321 | .00076427 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .983524 | < R2 > | 1.139650 | < 1/R > | 1.460558 | < 1/R**2 > | 8.637316 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.354924 | .73307502 |
| 2 | 1s | 10.722991 | .19849317 |
| 3 | 1s | 3.629425 | .00402980 |
| 4 | 2s | 7.716711 | .09859457 |
| 5 | 3s | 8.688550 | -.02314512 |
| 6 | 4s | 14.561749 | .00529973 |
| 7 | 5s | 28.457401 | .00014545 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197803 | < R2 > | .052612 | < 1/R > | 7.660107 | < 1/R**2 > | 118.799581 |
Total Energy= -71.30224359 a.u.
Kinetic Energy= 71.30261217 a.u.
Potential Energy= -142.60485576 a.u.
Virial Ratio = -1.99999483