(1s 2 2s 2 2p 2 5p 1 ) 2 P F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 1.652783 | .18842443 |
| 2 | 3p | .946173 | -1.57485278 |
| 3 | 4p | .726178 | 3.71296578 |
| 4 | 5p | .644729 | -3.02836374 |
| 5 | 2p | 4.821370 | .03141579 |
| 6 | 5p | 1.640719 | .06071780 |
| 7 | 3p | 8.799989 | -.00134040 |
| ORB.ENERGY,a.u. | -.208590 | ||
| NORM | 1.000003 | < R > | 10.495422 | < R2 > | 123.705365 | < 1/R > | .129387 | < 1/R**2 > | .047523 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.750705 | .79113754 |
| 2 | 2p | 4.906624 | .20081943 |
| 3 | 2p | 10.958368 | .00653648 |
| 4 | 5p | .885778 | .10264035 |
| 5 | 4p | .688678 | -.08335547 |
| 6 | 4p | 5.257685 | .03083425 |
| 7 | 3p | 7.102406 | .00815422 |
| 8 | 5p | 19.058849 | -.00031867 |
| 9 | 3p | .438088 | -.02108440 |
| ORB.ENERGY,a.u. | -3.035100 | ||
| NORM | 1.000000 | < R > | .817374 | < R2 > | .850878 | < 1/R > | 1.580820 | < 1/R**2 > | 3.464387 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.435431 | .33344076 |
| 2 | 2s | 3.414579 | -.85287895 |
| 3 | 3s | 3.072476 | -.26055376 |
| 4 | 4s | 10.741152 | .01723829 |
| 5 | 3s | 12.507467 | .00709163 |
| 6 | 5s | 3.148114 | -.00806663 |
| 7 | 5s | 21.279353 | .00076290 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .880785 | < R2 > | .916984 | < 1/R > | 1.636491 | < 1/R**2 > | 10.904215 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.277905 | .68788109 |
| 2 | 1s | 12.188521 | .22286221 |
| 3 | 1s | 2.690785 | .00562004 |
| 4 | 2s | 9.052925 | .12782602 |
| 5 | 3s | 10.126441 | -.02746033 |
| 6 | 4s | 17.039694 | .00331195 |
| 7 | 5s | 4.800662 | -.00126147 |
| 8 | 5s | 52.799939 | -.00003396 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175232 | < R2 > | .041300 | < 1/R > | 8.645236 | < 1/R**2 > | 151.223764 |
Total Energy= -95.53250270 a.u.
Kinetic Energy= 95.52818817 a.u.
Potential Energy= -191.06069087 a.u.
Virial Ratio = -2.00004516