(1s 2 2s 1 5p 1 ) 1 P C 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 5p- electron | |
| 1 | 2p | .597517 | 2.09592669 |
| 2 | 3p | .782823 | -4.44706078 |
| 3 | 4p | .644109 | 6.35379289 |
| 4 | 5p | .613315 | -4.83648844 |
| 5 | 2p | 2.970849 | .07474814 |
| 6 | 5p | 3.051776 | .02568359 |
| 7 | 3p | 5.973290 | -.00442498 |
| ORB.ENERGY,a.u. | -.190020 | ||
| NORM | .999996 | < R > | 11.504016 | < R2 > | 149.163725 | < 1/R > | .129492 | < 1/R**2 > | .064858 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.123529 | .32135160 |
| 2 | 2s | 2.146232 | -.84794890 |
| 3 | 3s | 2.650800 | -.22129108 |
| 4 | 4s | 6.722825 | .01609963 |
| 5 | 3s | 6.856238 | .02374176 |
| 6 | 5s | 4.131081 | -.01761891 |
| 7 | 4s | 2.159934 | -.00622003 |
| 8 | 5s | 27.151725 | -.00010205 |
| 9 | 2s | 46.805621 | .00000614 |
| ORB.ENERGY,a.u. | -2.231300 | ||
| NORM | 1.000000 | < R > | 1.282847 | < R2 > | 1.920798 | < 1/R > | 1.114189 | < 1/R**2 > | 4.998537 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.278905 | .88434101 |
| 2 | 1s | 8.622231 | .12416265 |
| 3 | 2s | 4.481172 | .02016462 |
| 4 | 3s | 6.677615 | -.02286460 |
| 5 | 4s | 11.084418 | .00567717 |
| 6 | 5s | 6.426251 | -.00642220 |
| 7 | 5s | 44.576742 | -.00001796 |
| 8 | 4s | 2.738067 | .00060407 |
| ORB.ENERGY,a.u. | -12.472000 |
| NORM | 1.000000 | < R > | .267401 | < R2 > | .096279 | < 1/R > | 5.678493 | < 1/R**2 > | 65.485896 |
Total Energy= -34.91855971 a.u.
Kinetic Energy= 34.91607156 a.u.
Potential Energy= -69.83463127 a.u.
Virial Ratio = -2.00007126