(1s 2 2s 2 2p 2 ) 3 P O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 2.385941 | .81042362 |
| 2 | 2p | 4.115287 | .18232628 |
| 3 | 2p | 8.866206 | .00945623 |
| 4 | 3p | 2.491501 | -.00011029 |
| 5 | 4p | 2.276941 | .04404506 |
| 6 | 4p | 14.292342 | -.00053556 |
| ORB.ENERGY,a.u. | -2.005300 | ||
| NORM | 1.000000 | < R > | .984411 | < R2 > | 1.199164 | < 1/R > | 1.319117 | < 1/R**2 > | 2.434134 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.289841 | .27323191 |
| 2 | 2s | 2.369008 | -.75055294 |
| 3 | 3s | 4.270661 | -.27850493 |
| 4 | 4s | 4.360609 | .01622534 |
| 5 | 5s | 3.868017 | -.04439991 |
| 6 | 5s | 13.911269 | .00603231 |
| 7 | 4s | 18.140457 | .00216146 |
| 8 | 3s | 1.778778 | -.00340232 |
| 9 | 2s | 43.219667 | -.00001159 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | 1.033709 | < R2 > | 1.267790 | < 1/R > | 1.388583 | < 1/R**2 > | 7.845615 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.340609 | .73447536 |
| 2 | 1s | 10.753278 | .19730627 |
| 3 | 1s | 3.260231 | .00541240 |
| 4 | 2s | 7.715675 | .09820541 |
| 5 | 3s | 8.830123 | -.02322781 |
| 6 | 4s | 14.916611 | .00496963 |
| 7 | 5s | 78.347461 | -.00000873 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .198214 | < R2 > | .052886 | < 1/R > | 7.650501 | < 1/R**2 > | 118.574105 |
Total Energy= -73.10019327 a.u.
Kinetic Energy= 73.10020018 a.u.
Potential Energy= -146.20039345 a.u.
Virial Ratio = -1.99999991