(1s 2 2s 2 2p 1 ) 2 P Cl 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 7.197055 | .97132114 |
| 2 | 2p | 12.921513 | .03101185 |
| 3 | 2p | 20.739131 | .00476955 |
| 4 | 3p | 8.115862 | .02842074 |
| 5 | 4p | 10.432098 | -.02993109 |
| 6 | 5p | 41.422530 | -.00018550 |
| 7 | 5p | 7.139999 | .00350084 |
| ORB.ENERGY,a.u. | -24.097000 | ||
| NORM | 1.000000 | < R > | .341963 | < R2 > | .141361 | < 1/R > | 3.690402 | < 1/R**2 > | 18.392198 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.261639 | .39794555 |
| 2 | 2s | 6.883098 | -.81730379 |
| 3 | 3s | 8.893875 | -.28649383 |
| 4 | 4s | 10.699175 | .00650124 |
| 5 | 5s | 17.318734 | -.01253609 |
| 6 | 4s | 33.999018 | .00157655 |
| 7 | 5s | 5.396528 | .00038513 |
| 8 | 5s | 51.812498 | -.00018239 |
| ORB.ENERGY,a.u. | -39.694000 | ||
| NORM | 1.000000 | < R > | .395836 | < R2 > | .183223 | < 1/R > | 3.714990 | < 1/R**2 > | 55.768087 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.082458 | .93141357 |
| 2 | 1s | 24.434723 | .07029387 |
| 3 | 2s | 13.407295 | .02078901 |
| 4 | 3s | 19.355472 | -.01583418 |
| 5 | 5s | 41.332687 | .00095940 |
| 6 | 4s | 16.758607 | -.00616903 |
| 7 | 4s | 108.664890 | -.00002178 |
| ORB.ENERGY,a.u. | -124.960000 |
| NORM | 1.000000 | < R > | .090549 | < R2 > | .010978 | < 1/R > | 16.646735 | < 1/R**2 > | 557.499800 |
Total Energy= -359.42292515 a.u.
Kinetic Energy= 359.42291504 a.u.
Potential Energy= -718.84584018 a.u.
Virial Ratio = -2.00000003