(1s 2 2s 2 2p 6 5s 1 ) 2 S P 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 5s- electron | |
| 1 | 1s | 12.521167 | .04569396 |
| 2 | 2s | 4.319088 | -.22647949 |
| 3 | 3s | 1.961743 | 1.06040903 |
| 4 | 4s | 1.391728 | -2.67436301 |
| 5 | 5s | 1.175678 | 2.39818828 |
| 6 | 5s | 8.150152 | .01375161 |
| 7 | 4s | 13.376632 | -.00374009 |
| ORB.ENERGY,a.u. | -.671040 | ||
| NORM | 1.000001 | < R > | 5.613366 | < R2 > | 35.279357 | < 1/R > | .251041 | < 1/R**2 > | .616269 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.147522 | .45618225 |
| 2 | 3p | 6.301666 | .49466061 |
| 3 | 4p | 5.068361 | .15757342 |
| 4 | 5p | 3.104035 | .01160939 |
| 5 | 2p | 17.877238 | .00423440 |
| 6 | 5p | 35.696112 | -.00014502 |
| 7 | 3p | 1.869293 | -.01941255 |
| 8 | 3p | 78.183147 | .00000247 |
| 9 | 5p | 2.145849 | .00684503 |
| ORB.ENERGY,a.u. | -7.355500 | ||
| NORM | 1.000000 | < R > | .478689 | < R2 > | .285051 | < 1/R > | 2.725099 | < 1/R**2 > | 10.405054 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.227685 | .35941717 |
| 2 | 2s | 5.979799 | -.84461047 |
| 3 | 3s | 5.092959 | -.28862097 |
| 4 | 4s | 20.308905 | .00355335 |
| 5 | 3s | 18.855653 | .00412836 |
| 6 | 4s | 18.568416 | .00120905 |
| 7 | 5s | 40.380746 | .00020920 |
| 8 | 5s | 3.370217 | -.00501683 |
| 9 | 4s | 2.989585 | .00580558 |
| ORB.ENERGY,a.u. | -9.481100 | ||
| NORM | 1.000000 | < R > | .513500 | < R2 > | .312787 | < 1/R > | 2.841839 | < 1/R**2 > | 33.266297 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.569628 | 1.01444280 |
| 2 | 2s | 20.414775 | -.02231149 |
| 3 | 3s | 10.634632 | .01917287 |
| 4 | 4s | 57.885265 | -.00050933 |
| 5 | 4s | 10.099589 | .00282190 |
| 6 | 5s | 73.255599 | .00018262 |
| 7 | 5s | 12.500572 | -.00811505 |
| 8 | 2s | 2.583941 | -.00010569 |
| 9 | 2s | 3.099677 | .00022417 |
| 10 | 3s | 117.253899 | -.00001086 |
| ORB.ENERGY,a.u. | -81.507000 |
| NORM | 1.000000 | < R > | .103785 | < R2 > | .014482 | < 1/R > | 14.575384 | < 1/R**2 > | 428.693399 |
Total Energy= -335.03984882 a.u.
Kinetic Energy= 335.03983887 a.u.
Potential Energy= -670.07968768 a.u.
Virial Ratio = -2.00000003