(1s 2 2s 2 2p 5 5d 1 ) 3 P Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3152.
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 | 5d- electron | |
| 1 | 3d | 2.268228 | 1.07613423 |
| 2 | 4d | 1.695358 | -4.14616166 |
| 3 | 5d | 1.625355 | 3.79160041 |
| 4 | 3d | 4.929526 | .08178621 |
| 5 | 5d | 7.356010 | -.01803749 |
| 6 | 4d | 13.837230 | .00200243 |
| 7 | 5d | 1.386629 | -.03585641 |
| 8 | 3d | 19.258697 | .00035738 |
| ORB.ENERGY,a.u. | -1.335600 | ||
| NORM | .999997 | < R > | 4.111195 | < R2 > | 19.218126 | < 1/R > | .343366 | < 1/R**2 > | .255971 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.883118 | 1.18698810 |
| 2 | 3p | 6.946000 | -.25350110 |
| 3 | 2p | 13.034272 | .06617815 |
| 4 | 4p | 15.807340 | .00940258 |
| 5 | 5p | 39.264169 | -.00014303 |
| 6 | 5p | 4.533550 | .00026215 |
| ORB.ENERGY,a.u. | -14.325000 | ||
| NORM | 1.000000 | < R > | .387085 | < R2 > | .184126 | < 1/R > | 3.323374 | < 1/R**2 > | 15.242033 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.624632 | .39105435 |
| 2 | 2s | 7.166254 | -.84216660 |
| 3 | 3s | 6.487716 | -.30505643 |
| 4 | 4s | 18.664043 | .00544186 |
| 5 | 3s | 21.142414 | .00660370 |
| 6 | 5s | 34.976727 | .00049556 |
| 7 | 5s | 5.581931 | -.00340887 |
| 8 | 4s | 3.896312 | .00148650 |
| 9 | 3s | 2.648407 | -.00040666 |
| 10 | 2s | 69.363393 | .00002077 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .429458 | < R2 > | .217440 | < 1/R > | 3.408329 | < 1/R**2 > | 47.585025 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.184025 | .92695615 |
| 2 | 1s | 23.719228 | .06885525 |
| 3 | 2s | 10.142983 | .02130284 |
| 4 | 3s | 12.568766 | -.02159460 |
| 5 | 4s | 15.577855 | .01061087 |
| 6 | 5s | 40.681305 | .00070464 |
| 7 | 4s | 92.582607 | -.00003526 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091151 | < R2 > | .011157 | < 1/R > | 16.576405 | < 1/R**2 > | 553.847448 |
Total Energy= -433.33214867 a.u.
Kinetic Energy= 433.34130464 a.u.
Potential Energy= -866.67345331 a.u.
Virial Ratio = -1.99997887