(1s 2 2s 2 2p 2 3p 1 ) 4 S O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4031.
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 | 3p | .875785 | -1.06606933 |
| 2 | 2p | 1.784220 | .23023996 |
| 3 | 2p | 5.711841 | .01569921 |
| 4 | 4p | 7.010233 | .00371539 |
| 5 | 5p | 3.787002 | -.01917015 |
| 6 | 5p | .782040 | -.01176737 |
| ORB.ENERGY,a.u. | -.332210 | ||
| NORM | 1.000000 | < R > | 4.241192 | < R2 > | 20.202400 | < 1/R > | .275933 | < 1/R**2 > | .114029 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.278271 | .79768844 |
| 2 | 2p | 3.918326 | .23069353 |
| 3 | 2p | 8.792926 | .01085958 |
| 4 | 3p | 1.357989 | .01827120 |
| 5 | 5p | 17.403592 | -.00033959 |
| 6 | 4p | 1.174840 | -.06343430 |
| 7 | 5p | .914899 | -.01276246 |
| 8 | 4p | 9.712574 | .00098024 |
| ORB.ENERGY,a.u. | -1.659300 | ||
| NORM | 1.000000 | < R > | .971842 | < R2 > | 1.188442 | < 1/R > | 1.332280 | < 1/R**2 > | 2.470954 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.680033 | .31060590 |
| 2 | 2s | 2.918326 | -.84532476 |
| 3 | 3s | 2.485670 | -.26808175 |
| 4 | 4s | 9.644691 | .01864803 |
| 5 | 3s | 11.292291 | .00701338 |
| 6 | 5s | 1.750397 | -.00129051 |
| 7 | 5s | 19.342401 | .00069506 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.036755 | < R2 > | 1.276176 | < 1/R > | 1.384701 | < 1/R**2 > | 7.804414 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.339527 | .73690414 |
| 2 | 1s | 10.790387 | .19547358 |
| 3 | 1s | 2.271882 | .00418154 |
| 4 | 2s | 7.731026 | .09951188 |
| 5 | 3s | 8.875959 | -.02280541 |
| 6 | 4s | 15.084782 | .00462673 |
| 7 | 5s | 3.831361 | -.00076900 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198242 | < R2 > | .052905 | < 1/R > | 7.649835 | < 1/R**2 > | 118.558394 |
Total Energy= -73.42776640 a.u.
Kinetic Energy= 73.43239452 a.u.
Potential Energy= -146.86016091 a.u.
Virial Ratio = -1.99993697