(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 1 P S 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 3p | 1.089972 | -.61122340 |
| 2 | 4p | 1.114509 | 1.59176666 |
| 3 | 5p | .766898 | -1.55649804 |
| 4 | 3p | 2.319828 | -.23877957 |
| 5 | 2p | 10.471878 | .01359236 |
| 6 | 2p | 5.130117 | .07629607 |
| 7 | 4p | 13.678544 | .00181982 |
| 8 | 2p | .475104 | .14217719 |
| ORB.ENERGY,a.u. | -.277810 | ||
| NORM | .999998 | < R > | 7.908401 | < R2 > | 69.940164 | < 1/R > | .170465 | < 1/R**2 > | .105398 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.593188 | .32864642 |
| 2 | 2p | 1.568513 | -.48657575 |
| 3 | 3p | 2.220498 | -.61778768 |
| 4 | 2p | 8.953436 | .09404147 |
| 5 | 3p | 14.173217 | -.00356805 |
| 6 | 4p | 1.208338 | .01486431 |
| 7 | 5p | 1.189516 | -.00654744 |
| 8 | 4p | 32.113055 | -.00013940 |
| ORB.ENERGY,a.u. | -1.255200 | ||
| NORM | 1.000000 | < R > | 1.675279 | < R2 > | 3.232593 | < 1/R > | .794620 | < 1/R**2 > | 1.393684 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.958705 | -.41609250 |
| 2 | 1s | 11.415089 | .19987347 |
| 3 | 1s | 51.526362 | .00014397 |
| 4 | 2s | 5.307907 | -.15613590 |
| 5 | 3s | 2.530756 | 1.02976139 |
| 6 | 4s | 4.466610 | .08728405 |
| 7 | 3s | 32.832057 | -.00063094 |
| 8 | 5s | 2.393748 | .10451008 |
| ORB.ENERGY,a.u. | -1.708600 | ||
| NORM | 1.000000 | < R > | 1.542505 | < R2 > | 2.713188 | < 1/R > | .877079 | < 1/R**2 > | 4.456513 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 19.505235 | .00327306 |
| 2 | 2p | 8.914548 | .44642868 |
| 3 | 3p | 6.902440 | .50709180 |
| 4 | 5p | 3.905110 | .00491876 |
| 5 | 4p | 5.530699 | .14863412 |
| 6 | 5p | 30.109725 | -.00020683 |
| 7 | 4p | 34.149614 | -.00017413 |
| 8 | 3p | 1.656123 | .00010034 |
| ORB.ENERGY,a.u. | -7.544900 | ||
| NORM | 1.000000 | < R > | .440056 | < R2 > | .240805 | < 1/R > | 2.959287 | < 1/R**2 > | 12.236943 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.010084 | .36726503 |
| 2 | 2s | 6.304878 | -.76623650 |
| 3 | 3s | 5.325959 | -.16181131 |
| 4 | 4s | 23.811288 | .00247540 |
| 5 | 2s | 5.337610 | -.19451170 |
| 6 | 3s | 17.705418 | .00547883 |
| 7 | 4s | 3.693020 | -.00174145 |
| 8 | 5s | 46.064307 | .00011767 |
| ORB.ENERGY,a.u. | -9.849800 | ||
| NORM | 1.000000 | < R > | .474396 | < R2 > | .266754 | < 1/R > | 3.081486 | < 1/R**2 > | 39.090875 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.554867 | 1.01450065 |
| 2 | 2s | 20.546600 | -.02542393 |
| 3 | 3s | 12.088437 | .02045886 |
| 4 | 4s | 16.289998 | -.00018715 |
| 5 | 4s | 31.381866 | .00163452 |
| 6 | 2s | 66.431880 | .00001882 |
| 7 | 5s | 14.502977 | -.00547659 |
| 8 | 3s | 6.590180 | .00045232 |
| 9 | 4s | 3.609596 | -.00001414 |
| ORB.ENERGY,a.u. | -92.338000 |
| NORM | 1.000000 | < R > | .097136 | < R2 > | .012682 | < 1/R > | 15.567995 | < 1/R**2 > | 488.881110 |
Total Energy= -395.34753772 a.u.
Kinetic Energy= 395.35499360 a.u.
Potential Energy= -790.70253132 a.u.
Virial Ratio = -1.99998114