(1s 2 2s 2 2p 1 3p 1 ) 3 P F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 2p | 2.269553 | .29756650 |
| 2 | 3p | 1.552641 | -1.17632010 |
| 3 | 2p | 6.482498 | .01579123 |
| 4 | 4p | 6.950914 | .00720508 |
| 5 | 5p | 6.291296 | -.00445464 |
| 6 | 4p | .763174 | -.00025408 |
| ORB.ENERGY,a.u. | -1.136800 | ||
| NORM | 1.000000 | < R > | 2.473524 | < R2 > | 6.804483 | < 1/R > | .460369 | < 1/R**2 > | .275223 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.467481 | .95735036 |
| 2 | 2p | 8.628669 | .02442899 |
| 3 | 3p | 1.548603 | -.25194621 |
| 4 | 4p | 3.410037 | .14440774 |
| 5 | 5p | 11.015273 | .00525180 |
| ORB.ENERGY,a.u. | -3.736700 | ||
| NORM | 1.000000 | < R > | .743590 | < R2 > | .760563 | < 1/R > | 1.752570 | < 1/R**2 > | 4.168922 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.033339 | .30921616 |
| 2 | 2s | 2.930869 | -.79905112 |
| 3 | 3s | 4.489175 | -.28472909 |
| 4 | 4s | 16.034130 | .00327370 |
| 5 | 5s | 8.543615 | -.01806809 |
| 6 | 5s | 6.461057 | .01867539 |
| 7 | 4s | 34.748237 | .00006568 |
| 8 | 4s | 3.423479 | .02918780 |
| 9 | 3s | 1.060161 | -.00025790 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .848087 | < R2 > | .846630 | < 1/R > | 1.702392 | < 1/R**2 > | 11.751977 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.043577 | .85183813 |
| 2 | 1s | 12.619792 | .14443550 |
| 3 | 1s | 3.591776 | .00134839 |
| 4 | 2s | 10.936377 | .02086144 |
| 5 | 3s | 9.777714 | -.01588228 |
| 6 | 4s | 16.451696 | .00404147 |
| 7 | 5s | 62.592522 | -.00002180 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174896 | < R2 > | .041102 | < 1/R > | 8.655327 | < 1/R**2 > | 151.492150 |
Total Energy= -93.25359599 a.u.
Kinetic Energy= 93.26341424 a.u.
Potential Energy= -186.51701023 a.u.
Virial Ratio = -1.99989473