(1s 2 2s 2 2p 2 5p 1 ) 4 P F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4151.
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 | 3p | .986445 | -1.24592022 |
| 2 | 4p | .749866 | 3.26377323 |
| 3 | 5p | .656648 | -2.77351353 |
| 4 | 2p | 5.006712 | .03078899 |
| 5 | 5p | 3.080176 | .01793817 |
| 6 | 3p | 8.663007 | -.00232158 |
| 7 | 2p | 2.639597 | .13017044 |
| ORB.ENERGY,a.u. | -.214840 | ||
| NORM | 1.000003 | < R > | 10.182071 | < R2 > | 116.535494 | < 1/R > | .138975 | < 1/R**2 > | .070711 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.769283 | .82101378 |
| 2 | 2p | 4.699834 | .20399743 |
| 3 | 2p | 10.150855 | .00889644 |
| 4 | 3p | 1.832349 | .01903747 |
| 5 | 4p | 3.215143 | -.01612115 |
| 6 | 5p | 21.200049 | -.00028363 |
| 7 | 5p | 2.023186 | -.00583661 |
| 8 | 4p | 88.804666 | .00000210 |
| ORB.ENERGY,a.u. | -3.041400 | ||
| NORM | 1.000000 | < R > | .817535 | < R2 > | .822509 | < 1/R > | 1.577719 | < 1/R**2 > | 3.453539 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.463538 | .33153668 |
| 2 | 2s | 3.416610 | -.84957201 |
| 3 | 3s | 3.112046 | -.25809652 |
| 4 | 4s | 10.431993 | .01590138 |
| 5 | 3s | 12.042481 | .01124884 |
| 6 | 5s | 3.236151 | -.01465479 |
| 7 | 5s | 33.346428 | -.00013624 |
| 8 | 2s | 42.048804 | .00003298 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .880833 | < R2 > | .917107 | < 1/R > | 1.636428 | < 1/R**2 > | 10.903504 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.278677 | .68783199 |
| 2 | 1s | 12.188775 | .22282236 |
| 3 | 1s | 2.705226 | .00562682 |
| 4 | 2s | 9.056218 | .12781041 |
| 5 | 3s | 10.149199 | -.02748708 |
| 6 | 4s | 16.995502 | .00345324 |
| 7 | 5s | 4.828009 | -.00125044 |
| 8 | 5s | 54.631357 | -.00002807 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175232 | < R2 > | .041300 | < 1/R > | 8.645231 | < 1/R**2 > | 151.223593 |
Total Energy= -95.53277904 a.u.
Kinetic Energy= 95.53443320 a.u.
Potential Energy= -191.06721224 a.u.
Virial Ratio = -1.99998269