(1s 2 2s 2 2p 6 3s 2 5s 1 ) 2 S Cl 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 5s- electron | |
| 1 | 3s | 9.432885 | .03682393 |
| 2 | 4s | 13.665294 | -.00724945 |
| 3 | 3s | .919294 | .24338740 |
| 4 | 1s | 12.412140 | .05130717 |
| 5 | 2s | 5.856983 | -.21583694 |
| 6 | 3s | 2.519142 | .66013727 |
| 7 | 4s | 1.496869 | -2.21366256 |
| 8 | 5s | 1.272140 | 2.04551881 |
| ORB.ENERGY,a.u. | -.735970 | ||
| NORM | .999999 | < R > | 5.145644 | < R2 > | 29.552175 | < 1/R > | .267340 | < 1/R**2 > | .670311 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.558646 | 2.76470481 |
| 2 | 1s | 19.527773 | .01804304 |
| 3 | 2s | 6.214493 | -1.42289001 |
| 4 | 3s | 1.919414 | -.55186572 |
| 5 | 4s | 5.286555 | -.59996929 |
| 6 | 5s | 8.467624 | -.13163888 |
| 7 | 4s | 1.277303 | -.00358343 |
| 8 | 3s | 47.543722 | -.00006495 |
| ORB.ENERGY,a.u. | -3.147200 | ||
| NORM | 1.000000 | < R > | 1.329417 | < R2 > | 2.005592 | < 1/R > | 1.029270 | < 1/R**2 > | 6.237669 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.737087 | .43535625 |
| 2 | 3p | 7.674490 | .49898409 |
| 3 | 5p | 5.017062 | .00812597 |
| 4 | 4p | 6.296095 | .16283648 |
| 5 | 2p | 22.426050 | .00221461 |
| 6 | 5p | 37.349732 | -.00015814 |
| 7 | 4p | 93.598431 | .00000482 |
| 8 | 3p | 152.243055 | .00000035 |
| ORB.ENERGY,a.u. | -10.431000 | ||
| NORM | 1.000000 | < R > | .403256 | < R2 > | .201383 | < 1/R > | 3.215596 | < 1/R**2 > | 14.384603 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.724649 | .37847171 |
| 2 | 2s | 6.936856 | -.77059826 |
| 3 | 3s | 6.268135 | -.16413028 |
| 4 | 4s | 27.848428 | .00193978 |
| 5 | 2s | 5.143195 | -.19573432 |
| 6 | 3s | 17.225534 | .00737271 |
| 7 | 4s | 3.184805 | .00008207 |
| 8 | 5s | 59.412533 | .00002608 |
| 9 | 2s | 24.002129 | .00008255 |
| ORB.ENERGY,a.u. | -12.871000 | ||
| NORM | 1.000000 | < R > | .438863 | < R2 > | .227811 | < 1/R > | 3.334557 | < 1/R**2 > | 45.709015 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.580468 | 1.01102212 |
| 2 | 2s | 20.560736 | -.01838925 |
| 3 | 3s | 15.152264 | .01696826 |
| 4 | 4s | 61.413473 | -.00040707 |
| 5 | 4s | 8.565354 | .00129266 |
| 6 | 5s | 78.889273 | .00011786 |
| 7 | 5s | 8.760480 | -.00054215 |
| 8 | 2s | 28.639047 | -.00344479 |
| 9 | 2s | 164.367847 | .00000234 |
| 10 | 3s | 5.566226 | .00009510 |
| ORB.ENERGY,a.u. | -106.790000 |
| NORM | 1.000000 | < R > | .091262 | < R2 > | .011190 | < 1/R > | 16.563646 | < 1/R**2 > | 553.183408 |
Total Energy= -453.14460858 a.u.
Kinetic Energy= 453.14460530 a.u.
Potential Energy= -906.28921388 a.u.
Virial Ratio = -2.00000001