(1s 2 2s 2 2p 6 3s 2 3p 3 ) 4 S Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4031.
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 | 5.300011 | .42065211 |
| 2 | 2p | 1.512845 | -.85926616 |
| 3 | 3p | 2.455365 | -.36450750 |
| 4 | 2p | 12.169015 | .03210975 |
| 5 | 4p | 8.534202 | -.04396757 |
| 6 | 5p | 36.618231 | -.00011135 |
| 7 | 3p | 1.489045 | .14325098 |
| 8 | 3p | 23.834214 | -.00035642 |
| 9 | 5p | 1.109882 | -.00077050 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.597293 | < R2 > | 2.958045 | < 1/R > | .833274 | < 1/R**2 > | 1.524778 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.275730 | -.42625746 |
| 2 | 1s | 12.766232 | .16799531 |
| 3 | 2s | 6.215953 | -.19730877 |
| 4 | 3s | 2.615769 | 1.03482447 |
| 5 | 4s | 4.647363 | .20202484 |
| 6 | 3s | 18.475121 | .00357654 |
| 7 | 5s | 2.384390 | .09994019 |
| 8 | 4s | 56.744190 | -.00005245 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.458452 | < R2 > | 2.438966 | < 1/R > | .931399 | < 1/R**2 > | 5.048419 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.966110 | .41199407 |
| 2 | 3p | 7.908657 | .49302607 |
| 3 | 4p | 6.539439 | .18832566 |
| 4 | 5p | 5.298134 | .01842787 |
| 5 | 5p | 35.112006 | -.00021075 |
| 6 | 3p | 2.526857 | .00145945 |
| 7 | 2p | 24.013283 | .00153331 |
| 8 | 4p | 94.178582 | .00000496 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .405141 | < R2 > | .203592 | < 1/R > | 3.204543 | < 1/R**2 > | 14.300065 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.757721 | .37532156 |
| 2 | 2s | 6.936308 | -.76757690 |
| 3 | 3s | 6.435402 | -.16219506 |
| 4 | 4s | 27.539066 | .00194679 |
| 5 | 2s | 4.855438 | -.19845489 |
| 6 | 3s | 17.552959 | .00632297 |
| 7 | 4s | 2.998660 | -.00100555 |
| 8 | 5s | 56.162109 | .00003160 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .441135 | < R2 > | .230495 | < 1/R > | 3.318441 | < 1/R**2 > | 45.308088 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577857 | 1.01109042 |
| 2 | 2s | 20.708874 | -.01845571 |
| 3 | 3s | 15.049177 | .01708433 |
| 4 | 4s | 61.663970 | -.00038523 |
| 5 | 4s | 8.152670 | .00129871 |
| 6 | 5s | 79.170636 | .00010997 |
| 7 | 5s | 8.360323 | -.00056440 |
| 8 | 2s | 28.430312 | -.00339773 |
| 9 | 2s | 162.028992 | .00000238 |
| 10 | 3s | 3.255729 | -.00002776 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091289 | < R2 > | .011198 | < 1/R > | 16.560462 | < 1/R**2 > | 553.018890 |
Total Energy= -458.22646822 a.u.
Kinetic Energy= 458.22647154 a.u.
Potential Energy= -916.45293976 a.u.
Virial Ratio = -1.99999999