(1s 2 2s 2 2p 1 4s 1 ) 1 P C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1140.
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 | 5.750454 | .02354519 |
| 2 | 2s | .672305 | -.50288909 |
| 3 | 3s | .784520 | .84941576 |
| 4 | 4s | .351257 | -1.23648238 |
| 5 | 5s | 3.831056 | -.02161242 |
| 6 | 5s | .713941 | .37915051 |
| 7 | 4s | 5.141509 | -.01933940 |
| 8 | 5s | 14.044306 | -.00034037 |
| 9 | 4s | 59.896708 | .00000988 |
| ORB.ENERGY,a.u. | -.054801 | ||
| NORM | 1.000000 | < R > | 13.795900 | < R2 > | 214.453258 | < 1/R > | .094891 | < 1/R**2 > | .047775 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.583195 | .80458942 |
| 2 | 2p | 2.525832 | .24513516 |
| 3 | 2p | 6.584669 | .01025747 |
| 4 | 3p | 2.718697 | -.05757236 |
| 5 | 4p | 1.517093 | .04147053 |
| 6 | 4p | 10.347150 | -.00057599 |
| 7 | 5p | .420748 | .00051123 |
| ORB.ENERGY,a.u. | -.762460 | ||
| NORM | 1.000000 | < R > | 1.473175 | < R2 > | 2.690405 | < 1/R > | .884512 | < 1/R**2 > | 1.101607 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.544553 | .24280564 |
| 2 | 2s | 1.576599 | -.75821041 |
| 3 | 3s | 2.803812 | -.26276546 |
| 4 | 4s | 10.769526 | .00362267 |
| 5 | 5s | 5.720859 | -.03323665 |
| 6 | 5s | .418852 | -.00892659 |
| 7 | 4s | 1.570234 | .01950553 |
| 8 | 3s | 6.119173 | -.00636457 |
| 9 | 2s | 18.780828 | -.00009209 |
| 10 | 3s | .428781 | .00382061 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.474415 | < R2 > | 2.591185 | < 1/R > | .961851 | < 1/R**2 > | 3.720763 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.477743 | .00397180 |
| 2 | 1s | 5.215686 | .71538291 |
| 3 | 1s | 8.200663 | .22610827 |
| 4 | 2s | 6.451291 | .08078826 |
| 5 | 3s | 6.792287 | -.01401375 |
| 6 | 4s | 10.912264 | .00575821 |
| 7 | 5s | 43.645510 | -.00002471 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268109 | < R2 > | .096885 | < 1/R > | 5.668405 | < 1/R**2 > | 65.301005 |
Total Energy= -37.34803203 a.u.
Kinetic Energy= 37.34701521 a.u.
Potential Energy= -74.69504724 a.u.
Virial Ratio = -2.00002723