(1s 2 2s 2 2p 2 5s 1 ) 4 P Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4150.
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 | 1s | 12.810129 | .09371055 |
| 2 | 2s | 4.600074 | -.68561876 |
| 3 | 3s | 2.867635 | 3.51807881 |
| 4 | 4s | 2.531474 | -6.65665880 |
| 5 | 5s | 2.321682 | 4.30843041 |
| 6 | 5s | 15.493380 | -.00373613 |
| 7 | 4s | 30.462703 | .00067259 |
| 8 | 5s | 97.047156 | .00000863 |
| ORB.ENERGY,a.u. | -2.710100 | ||
| NORM | .999998 | < R > | 3.056122 | < R2 > | 10.452152 | < 1/R > | .477209 | < 1/R**2 > | 2.295970 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.772203 | 1.12711390 |
| 2 | 3p | 7.860067 | -.15172950 |
| 3 | 2p | 16.045027 | .02191234 |
| 4 | 4p | 18.105066 | .00647950 |
| 5 | 5p | 27.878420 | -.00056273 |
| 6 | 5p | 7.121294 | -.00207508 |
| 7 | 4p | 71.535897 | .00002665 |
| ORB.ENERGY,a.u. | -21.331000 | ||
| NORM | 1.000000 | < R > | .351495 | < R2 > | .149804 | < 1/R > | 3.603179 | < 1/R**2 > | 17.606160 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.039620 | .44537250 |
| 2 | 2s | 7.625391 | -.89575554 |
| 3 | 3s | 7.252818 | -.29958505 |
| 4 | 4s | 29.201634 | .00198868 |
| 5 | 3s | 14.835651 | .02533365 |
| 6 | 5s | 3.690323 | -.00569831 |
| 7 | 4s | 2.752522 | .03236173 |
| 8 | 3s | 2.091142 | -.02753008 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .404019 | < R2 > | .191223 | < 1/R > | 3.634613 | < 1/R**2 > | 53.575212 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.057275 | .92222030 |
| 2 | 1s | 24.001370 | .07776619 |
| 3 | 2s | 13.955896 | .01922206 |
| 4 | 3s | 17.753765 | -.01644405 |
| 5 | 5s | 41.238230 | .00048704 |
| 6 | 3s | 53.868550 | -.00014414 |
| 7 | 5s | 6.728022 | .00022318 |
| 8 | 3s | 1.268996 | -.00166220 |
| 9 | 4s | 1.526877 | .00172131 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090729 | < R2 > | .011031 | < 1/R > | 16.625366 | < 1/R**2 > | 556.382942 |
Total Energy= -383.86207164 a.u.
Kinetic Energy= 383.86787176 a.u.
Potential Energy= -767.72994341 a.u.
Virial Ratio = -1.99998489