(1s 2 2s 2 2p 1 4p 1 ) 1 P F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 4p- electron | |
| 1 | 2p | 2.366057 | .33405998 |
| 2 | 3p | 1.310638 | -1.62968449 |
| 3 | 4p | 1.097840 | 1.94024177 |
| 4 | 5p | 3.970707 | -.02101569 |
| 5 | 2p | 5.949915 | .03956081 |
| 6 | 4p | 7.225336 | .01254360 |
| ORB.ENERGY,a.u. | -.595330 | ||
| NORM | 1.000000 | < R > | 4.838320 | < R2 > | 26.441257 | < 1/R > | .288316 | < 1/R**2 > | .236491 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.093336 | .87364070 |
| 2 | 2p | 4.983633 | .13815157 |
| 3 | 2p | 10.490976 | .00774996 |
| 4 | 3p | 4.406261 | -.00702209 |
| 5 | 4p | 2.858227 | .01206646 |
| 6 | 4p | 15.554005 | -.00068762 |
| ORB.ENERGY,a.u. | -3.927000 | ||
| NORM | 1.000000 | < R > | .765523 | < R2 > | .715229 | < 1/R > | 1.668568 | < 1/R**2 > | 3.819881 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.066855 | .30843722 |
| 2 | 2s | 2.911190 | -.78684553 |
| 3 | 3s | 4.667432 | -.27161653 |
| 4 | 4s | 15.306109 | .00318488 |
| 5 | 5s | 9.319306 | -.01425219 |
| 6 | 5s | 3.270540 | .01982853 |
| 7 | 4s | 27.345889 | .00015209 |
| 8 | 3s | .802152 | .00024775 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .844702 | < R2 > | .838998 | < 1/R > | 1.708798 | < 1/R**2 > | 11.833313 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.483941 | .00129915 |
| 2 | 1s | 8.052791 | .85097503 |
| 3 | 1s | 12.610727 | .14438460 |
| 4 | 2s | 11.010121 | .02091724 |
| 5 | 3s | 9.845685 | -.01578930 |
| 6 | 4s | 15.795372 | .00482743 |
| 7 | 5s | 29.010192 | .00026360 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174852 | < R2 > | .041077 | < 1/R > | 8.656743 | < 1/R**2 > | 151.530587 |
Total Energy= -92.70834125 a.u.
Kinetic Energy= 92.72201076 a.u.
Potential Energy= -185.43035201 a.u.
Virial Ratio = -1.99985258