(1s 2 2s 2 2p 1 3s 1 ) 1 P Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1130.
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 | 3s- electron | |
| 1 | 1s | 12.965130 | .21392152 |
| 2 | 2s | 4.833733 | -1.35866928 |
| 3 | 3s | 4.345057 | 1.93238493 |
| 4 | 4s | 9.607701 | -.05121608 |
| 5 | 5s | 18.574833 | -.00674432 |
| 6 | 4s | 33.689574 | .00038309 |
| 7 | 4s | 2.750389 | .00045215 |
| ORB.ENERGY,a.u. | -9.272400 | ||
| NORM | 1.000000 | < R > | .985212 | < R2 > | 1.095021 | < 1/R > | 1.443119 | < 1/R**2 > | 12.340264 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.120871 | 1.07210353 |
| 2 | 3p | 8.693069 | -.08529185 |
| 3 | 2p | 17.041947 | .01422683 |
| 4 | 5p | 23.860142 | .00240215 |
| 5 | 4p | 49.878164 | .00003553 |
| 6 | 4p | 2.432845 | -.00004181 |
| ORB.ENERGY,a.u. | -22.837000 | ||
| NORM | 1.000000 | < R > | .343310 | < R2 > | .142502 | < 1/R > | 3.677545 | < 1/R**2 > | 18.276739 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.322528 | .39650199 |
| 2 | 2s | 6.853561 | -.81124431 |
| 3 | 3s | 8.988313 | -.28745178 |
| 4 | 4s | 32.772960 | .00135733 |
| 5 | 5s | 17.691311 | -.01150314 |
| 6 | 5s | 5.220990 | .00664541 |
| 7 | 3s | 63.439466 | .00002187 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .394536 | < R2 > | .181775 | < 1/R > | 3.725669 | < 1/R**2 > | 56.056906 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.221606 | .95409196 |
| 2 | 1s | 27.197136 | .04380245 |
| 3 | 2s | 16.542500 | .02271127 |
| 4 | 3s | 20.325928 | -.01909873 |
| 5 | 4s | 86.947449 | -.00005846 |
| 6 | 5s | 37.516740 | .00104767 |
| 7 | 5s | 6.969389 | -.00139172 |
| 8 | 3s | 4.131033 | .00314005 |
| 9 | 4s | 4.436288 | -.00233238 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090581 | < R2 > | .010987 | < 1/R > | 16.642863 | < 1/R**2 > | 557.292540 |
Total Energy= -368.72247180 a.u.
Kinetic Energy= 368.66639996 a.u.
Potential Energy= -737.38887176 a.u.
Virial Ratio = -2.00015209