(1s 2 2s 2 2p 2 4p 1 ) 2 S O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2041.
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 | 4p- electron | |
| 1 | 2p | 2.645411 | .14401627 |
| 2 | 3p | .762177 | -.84322291 |
| 3 | 4p | .605982 | 1.52724105 |
| 4 | 5p | 1.767984 | -.10085030 |
| 5 | 2p | 6.120759 | .01002338 |
| 6 | 5p | 1.254726 | -.11591089 |
| 7 | 5p | 8.676209 | .00236583 |
| 8 | 5p | .479875 | .00604854 |
| ORB.ENERGY,a.u. | -.171550 | ||
| NORM | 1.000002 | < R > | 8.366061 | < R2 > | 79.101210 | < 1/R > | .163294 | < 1/R**2 > | .077556 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.308221 | .77992416 |
| 2 | 2p | 3.918181 | .22241182 |
| 3 | 2p | 8.224664 | .01292246 |
| 4 | 3p | 1.659867 | .03436108 |
| 5 | 4p | 1.551831 | -.00722421 |
| 6 | 5p | 16.893647 | -.00082988 |
| 7 | 4p | 24.430968 | -.00015245 |
| 8 | 5p | .495993 | -.00026970 |
| ORB.ENERGY,a.u. | -1.829500 | ||
| NORM | 1.000000 | < R > | .985634 | < R2 > | 1.202651 | < 1/R > | 1.317949 | < 1/R**2 > | 2.430536 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.680935 | .31108809 |
| 2 | 2s | 2.922636 | -.84290032 |
| 3 | 3s | 2.522650 | -.26503222 |
| 4 | 4s | 9.670579 | .01828457 |
| 5 | 3s | 11.181272 | .00718016 |
| 6 | 5s | 2.638325 | -.00679075 |
| 7 | 5s | 19.623400 | .00063417 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.034950 | < R2 > | 1.271251 | < 1/R > | 1.387060 | < 1/R**2 > | 7.829697 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.339802 | .73693974 |
| 2 | 1s | 2.225805 | .00411709 |
| 3 | 1s | 10.790359 | .19547766 |
| 4 | 2s | 7.732631 | .09952255 |
| 5 | 3s | 8.871920 | -.02278097 |
| 6 | 4s | 15.080637 | .00462744 |
| 7 | 5s | 3.847498 | -.00080958 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198224 | < R2 > | .052893 | < 1/R > | 7.650249 | < 1/R**2 > | 118.568149 |
Total Energy= -73.26399255 a.u.
Kinetic Energy= 73.27174495 a.u.
Potential Energy= -146.53573750 a.u.
Virial Ratio = -1.99989420