(1s 2 2s 2 4s 1 ) 2 S B 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 4.833786 | .03003555 |
| 2 | 2s | .494276 | -.63135660 |
| 3 | 3s | .541622 | 1.30463148 |
| 4 | 4s | .337331 | -1.30256058 |
| 5 | 5s | 1.285303 | .10072521 |
| 6 | 4s | 2.989731 | -.05386761 |
| 7 | 5s | 5.835507 | -.00988067 |
| 8 | 4s | 8.410948 | -.00227869 |
| 9 | 5s | 26.155910 | -.00004792 |
| ORB.ENERGY,a.u. | -.051804 | ||
| NORM | 1.000002 | < R > | 14.599951 | < R2 > | 239.889493 | < 1/R > | .091347 | < 1/R**2 > | .052271 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 4.606072 | .23408157 |
| 2 | 2s | 1.341244 | -.74032576 |
| 3 | 3s | 2.155152 | -.26178135 |
| 4 | 4s | 8.917930 | .00492498 |
| 5 | 5s | 4.493742 | -.03937971 |
| 6 | 3s | 2.205669 | .00291592 |
| 7 | 4s | 1.164825 | .00308604 |
| 8 | 5s | 23.544169 | .00008278 |
| 9 | 2s | 34.306070 | -.00000641 |
| ORB.ENERGY,a.u. | -.750360 | ||
| NORM | 1.000000 | < R > | 1.799343 | < R2 > | 3.831407 | < 1/R > | .779761 | < 1/R**2 > | 2.411560 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.210023 | .73065795 |
| 2 | 1s | 7.029621 | .22080712 |
| 3 | 2s | 5.673879 | .07612151 |
| 4 | 3s | 5.083777 | -.01382869 |
| 5 | 4s | 8.733838 | .00396764 |
| 6 | 5s | 20.393450 | -.00011385 |
| 7 | 3s | 16.706951 | -.00032549 |
| ORB.ENERGY,a.u. | -7.878800 |
| NORM | 1.000000 | < R > | .325277 | < R2 > | .142692 | < 1/R > | 4.679098 | < 1/R**2 > | 44.603909 |
Total Energy= -24.28937396 a.u.
Kinetic Energy= 24.28937124 a.u.
Potential Energy= -48.57874520 a.u.
Virial Ratio = -2.00000011