(1s 2 2s 2 2p 5 4p 1 ) 1 D P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1241.
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 | 6.928983 | .17293155 |
| 2 | 3p | 1.307318 | 2.04805807 |
| 3 | 4p | 2.597790 | -1.37732228 |
| 4 | 5p | 4.749141 | -.16804570 |
| 5 | 3p | 13.464820 | -.00489835 |
| 6 | 5p | 1.289898 | -.33434265 |
| 7 | 4p | .945600 | .13112546 |
| 8 | 5p | 14.028014 | -.00269125 |
| 9 | 3p | .703326 | -.03980166 |
| 10 | 3p | 40.131821 | .00001500 |
| ORB.ENERGY,a.u. | -1.372200 | ||
| NORM | 1.000000 | < R > | 3.140867 | < R2 > | 11.153186 | < 1/R > | .444821 | < 1/R**2 > | .582819 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.858352 | 1.22599689 |
| 2 | 3p | 5.733368 | -.30413156 |
| 3 | 2p | 11.316841 | .07555083 |
| 4 | 5p | 79.923583 | .00001382 |
| 5 | 4p | 13.556006 | .01364865 |
| 6 | 5p | 1.816176 | .00091680 |
| ORB.ENERGY,a.u. | -9.176400 | ||
| NORM | 1.000000 | < R > | .459360 | < R2 > | .260635 | < 1/R > | 2.817095 | < 1/R**2 > | 11.025943 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.143998 | .37185729 |
| 2 | 2s | 6.142272 | -.83376884 |
| 3 | 3s | 5.429344 | -.30277592 |
| 4 | 4s | 18.489965 | .00412713 |
| 5 | 3s | 17.340675 | .00677589 |
| 6 | 5s | 36.528361 | .00042043 |
| 7 | 5s | 4.785014 | -.00325924 |
| 8 | 4s | 2.616510 | .00049047 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .501636 | < R2 > | .297494 | < 1/R > | 2.909893 | < 1/R**2 > | 34.759561 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204052 | .92331086 |
| 2 | 1s | 20.991219 | .07298768 |
| 3 | 2s | 8.537373 | .02103337 |
| 4 | 3s | 10.643323 | -.02133212 |
| 5 | 4s | 13.384232 | .01070874 |
| 6 | 5s | 35.404727 | .00078690 |
| 7 | 4s | 81.727324 | -.00004400 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103679 | < R2 > | .014444 | < 1/R > | 14.584569 | < 1/R**2 > | 429.106714 |
Total Energy= -327.69119642 a.u.
Kinetic Energy= 327.68783142 a.u.
Potential Energy= -655.37902784 a.u.
Virial Ratio = -2.00001027