(1s 2 2s 2 2p 5 5p 1 ) 3 P S 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 4.328169 | .18662561 |
| 2 | 3p | 2.049693 | -1.72878328 |
| 3 | 4p | 1.686331 | 4.07565920 |
| 4 | 5p | 1.499706 | -2.98335056 |
| 5 | 5p | 14.069133 | .00220763 |
| 6 | 2p | 9.186879 | .04932214 |
| 7 | 5p | 1.463445 | -.15765201 |
| 8 | 4p | 33.622624 | -.00015236 |
| ORB.ENERGY,a.u. | -1.126000 | ||
| NORM | 1.000000 | < R > | 4.537083 | < R2 > | 23.146081 | < 1/R > | .316327 | < 1/R**2 > | .372882 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.375610 | 1.19964181 |
| 2 | 3p | 6.345682 | -.27233155 |
| 3 | 2p | 12.112038 | .07190056 |
| 4 | 5p | 37.623466 | -.00013200 |
| 5 | 4p | 14.547914 | .01102125 |
| 6 | 5p | 3.404559 | .00042113 |
| 7 | 4p | .964586 | -.00013894 |
| ORB.ENERGY,a.u. | -11.704000 | ||
| NORM | 1.000000 | < R > | .419973 | < R2 > | .217231 | < 1/R > | 3.071137 | < 1/R**2 > | 13.055301 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.886372 | .38194799 |
| 2 | 2s | 6.653622 | -.83793433 |
| 3 | 3s | 5.964723 | -.30383887 |
| 4 | 4s | 18.101630 | .00470492 |
| 5 | 3s | 19.270216 | .00677126 |
| 6 | 5s | 34.607835 | .00051077 |
| 7 | 5s | 5.214768 | -.00386324 |
| 8 | 4s | 3.561633 | .00158057 |
| 9 | 3s | 2.403986 | -.00041383 |
| 10 | 2s | 83.994904 | .00000694 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .462645 | < R2 > | .252641 | < 1/R > | 3.159570 | < 1/R**2 > | 40.933533 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.178339 | .92259886 |
| 2 | 1s | 22.236291 | .07366185 |
| 3 | 2s | 9.331115 | .02086336 |
| 4 | 3s | 11.618531 | -.02139980 |
| 5 | 4s | 14.465587 | .01063398 |
| 6 | 5s | 38.175490 | .00076632 |
| 7 | 4s | 89.244969 | -.00003620 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097015 | < R2 > | .012643 | < 1/R > | 15.580138 | < 1/R**2 > | 489.472746 |
Total Energy= -378.41289665 a.u.
Kinetic Energy= 378.40986868 a.u.
Potential Energy= -756.82276532 a.u.
Virial Ratio = -2.00000800