(1s 2 2s 2 2p 2 3s 1 ) 4 P O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4130.
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 | 3s- electron | |
| 1 | 1s | 7.025515 | .09211171 |
| 2 | 2s | 2.265274 | -.38067981 |
| 3 | 3s | 1.078326 | 1.01168949 |
| 4 | 4s | 5.531895 | -.04139227 |
| 5 | 5s | 10.008179 | -.00377393 |
| 6 | 4s | .945700 | .08759514 |
| 7 | 4s | 17.393553 | -.00013609 |
| 8 | 3s | 71.460370 | .00000289 |
| ORB.ENERGY,a.u. | -.435280 | ||
| NORM | 1.000000 | < R > | 3.520108 | < R2 > | 14.133930 | < 1/R > | .383702 | < 1/R**2 > | .850616 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.283183 | .75872134 |
| 2 | 2p | 3.795187 | .25466736 |
| 3 | 2p | 9.151053 | .00940220 |
| 4 | 3p | 1.396378 | .04438328 |
| 5 | 4p | 1.220267 | -.02160347 |
| 6 | 4p | 5.683106 | -.00879131 |
| 7 | 5p | 18.013240 | -.00024489 |
| 8 | 5p | 1.197339 | .00791169 |
| ORB.ENERGY,a.u. | -1.654900 | ||
| NORM | 1.000000 | < R > | .992430 | < R2 > | 1.223465 | < 1/R > | 1.311977 | < 1/R**2 > | 2.412140 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.675870 | .30999906 |
| 2 | 2s | 2.926952 | -.83894350 |
| 3 | 3s | 2.507254 | -.26434031 |
| 4 | 4s | 9.625104 | .01887552 |
| 5 | 3s | 11.339601 | .00697520 |
| 6 | 5s | 2.084830 | -.00529076 |
| 7 | 4s | .737347 | .01133596 |
| 8 | 2s | .586440 | -.02684622 |
| 9 | 5s | 19.205898 | .00073488 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.043989 | < R2 > | 1.302522 | < 1/R > | 1.379532 | < 1/R**2 > | 7.760870 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.339018 | .73620297 |
| 2 | 1s | 10.779156 | .19577407 |
| 3 | 1s | 3.289105 | .00532122 |
| 4 | 2s | 7.746593 | .09794906 |
| 5 | 3s | 8.867167 | -.02298841 |
| 6 | 4s | 14.913056 | .00480805 |
| 7 | 5s | 1.566449 | .00050433 |
| 8 | 3s | 36.508953 | -.00002833 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198200 | < R2 > | .052879 | < 1/R > | 7.650747 | < 1/R**2 > | 118.578685 |
Total Energy= -73.52678071 a.u.
Kinetic Energy= 73.53524957 a.u.
Potential Energy= -147.06203028 a.u.
Virial Ratio = -1.99988483