(1s 2 2s 2 2p 1 3p 1 ) 3 S F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3031.
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 | 2.440896 | .48351961 |
| 2 | 3p | 1.513588 | -1.18679435 |
| 3 | 2p | 6.061368 | .05692053 |
| 4 | 4p | 7.440509 | .01651397 |
| 5 | 5p | 4.282287 | -.03603196 |
| ORB.ENERGY,a.u. | -1.107000 | ||
| NORM | 1.000000 | < R > | 2.505494 | < R2 > | 7.144350 | < 1/R > | .527263 | < 1/R**2 > | .579553 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.131951 | .85264621 |
| 2 | 2p | 4.919219 | .13723100 |
| 3 | 2p | 9.968132 | .01009583 |
| 4 | 3p | 4.502956 | .00693677 |
| 5 | 4p | 2.700876 | .02154542 |
| 6 | 4p | 16.522714 | -.00066140 |
| ORB.ENERGY,a.u. | -3.706900 | ||
| NORM | 1.000000 | < R > | .761635 | < R2 > | .708789 | < 1/R > | 1.677473 | < 1/R**2 > | 3.858677 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.032548 | .30931937 |
| 2 | 2s | 2.932123 | -.79907291 |
| 3 | 3s | 4.483589 | -.28503931 |
| 4 | 4s | 16.073922 | .00323915 |
| 5 | 5s | 8.534691 | -.01837454 |
| 6 | 5s | 6.460389 | .01905828 |
| 7 | 4s | 35.084421 | .00006317 |
| 8 | 4s | 3.421181 | .02953449 |
| 9 | 3s | 1.055909 | -.00026658 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .847913 | < R2 > | .846229 | < 1/R > | 1.702710 | < 1/R**2 > | 11.756035 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.043499 | .85183524 |
| 2 | 1s | 12.619030 | .14446161 |
| 3 | 1s | 3.560883 | .00132096 |
| 4 | 2s | 10.930761 | .02087492 |
| 5 | 3s | 9.778004 | -.01588112 |
| 6 | 4s | 16.453179 | .00403135 |
| 7 | 5s | 62.411481 | -.00002203 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174897 | < R2 > | .041102 | < 1/R > | 8.655305 | < 1/R**2 > | 151.491477 |
Total Energy= -93.22984447 a.u.
Kinetic Energy= 93.23359818 a.u.
Potential Energy= -186.46344265 a.u.
Virial Ratio = -1.99995974