(1s 2 2s 2 2p 1 3p 1 ) 1 S F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 3p- electron | |
| 1 | 3p | 1.508677 | -1.18520390 |
| 2 | 2p | 2.238251 | .31330880 |
| 3 | 2p | 7.626131 | .00731561 |
| 4 | 4p | 3.398513 | .01031997 |
| 5 | 5p | 6.580466 | -.01304485 |
| ORB.ENERGY,a.u. | -1.088100 | ||
| NORM | 1.000000 | < R > | 2.559040 | < R2 > | 7.269907 | < 1/R > | .442775 | < 1/R**2 > | .249318 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.241247 | .76377787 |
| 2 | 2p | 3.785820 | .30749567 |
| 3 | 2p | 12.730778 | .00655884 |
| 4 | 3p | 1.459106 | -.21438284 |
| 5 | 4p | 3.275461 | .04999787 |
| 6 | 4p | 6.246120 | -.04535648 |
| 7 | 3p | 14.093780 | .00173316 |
| 8 | 5p | 1.403645 | .00462906 |
| ORB.ENERGY,a.u. | -3.688000 | ||
| NORM | 1.000000 | < R > | .737485 | < R2 > | .736097 | < 1/R > | 1.755502 | < 1/R**2 > | 4.176714 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.032628 | .30939374 |
| 2 | 2s | 2.929576 | -.80105507 |
| 3 | 3s | 4.479483 | -.28529978 |
| 4 | 4s | 16.115874 | .00321751 |
| 5 | 5s | 8.504961 | -.01890125 |
| 6 | 5s | 6.489604 | .01976087 |
| 7 | 4s | 35.589573 | .00006062 |
| 8 | 4s | 3.418143 | .03207816 |
| 9 | 3s | 1.057429 | -.00026869 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .847683 | < R2 > | .845713 | < 1/R > | 1.703141 | < 1/R**2 > | 11.761583 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.043596 | .85184258 |
| 2 | 1s | 12.619303 | .14444737 |
| 3 | 1s | 3.551585 | .00132986 |
| 4 | 2s | 10.933671 | .02086835 |
| 5 | 3s | 9.777861 | -.01588094 |
| 6 | 4s | 16.453893 | .00403840 |
| 7 | 5s | 62.524698 | -.00002186 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174896 | < R2 > | .041102 | < 1/R > | 8.655345 | < 1/R**2 > | 151.492640 |
Total Energy= -93.25146348 a.u.
Kinetic Energy= 93.21470270 a.u.
Potential Energy= -186.46616618 a.u.
Virial Ratio = -2.00039437