(1s 2 2s 2 2p 5 5d 1 ) 3 F Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3352.
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 | 2.229468 | 1.13254223 |
| 2 | 4d | 1.693734 | -4.21773965 |
| 3 | 5d | 1.620367 | 3.80982235 |
| 4 | 3d | 4.914272 | .07853267 |
| 5 | 5d | 7.313816 | -.01814978 |
| 6 | 4d | 13.747313 | .00217224 |
| 7 | 5d | 1.387307 | -.03815484 |
| 8 | 3d | 19.176837 | .00037318 |
| ORB.ENERGY,a.u. | -1.329900 | ||
| NORM | 1.000001 | < R > | 4.128833 | < R2 > | 19.385613 | < 1/R > | .341942 | < 1/R**2 > | .253423 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.883221 | 1.18700887 |
| 2 | 3p | 6.945853 | -.25354213 |
| 3 | 2p | 13.033877 | .06618381 |
| 4 | 4p | 15.803041 | .00940654 |
| 5 | 5p | 39.303803 | -.00014260 |
| 6 | 5p | 4.570697 | .00026912 |
| ORB.ENERGY,a.u. | -14.319000 | ||
| NORM | 1.000000 | < R > | .387071 | < R2 > | .184114 | < 1/R > | 3.323480 | < 1/R**2 > | 15.242927 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.623367 | .39111009 |
| 2 | 2s | 7.165870 | -.84213050 |
| 3 | 3s | 6.488000 | -.30502354 |
| 4 | 4s | 18.663852 | .00522394 |
| 5 | 3s | 20.945890 | .00667799 |
| 6 | 5s | 35.296806 | .00049112 |
| 7 | 5s | 5.572474 | -.00341043 |
| 8 | 4s | 3.874406 | .00148516 |
| 9 | 3s | 2.627933 | -.00040909 |
| 10 | 2s | 71.443740 | .00001784 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .429457 | < R2 > | .217439 | < 1/R > | 3.408339 | < 1/R**2 > | 47.585315 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.184025 | .92695578 |
| 2 | 1s | 23.719228 | .06885523 |
| 3 | 2s | 10.142846 | .02130366 |
| 4 | 3s | 12.568431 | -.02159514 |
| 5 | 4s | 15.577453 | .01061117 |
| 6 | 5s | 40.677898 | .00070468 |
| 7 | 4s | 92.595267 | -.00003526 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091151 | < R2 > | .011157 | < 1/R > | 16.576398 | < 1/R**2 > | 553.847077 |
Total Energy= -433.33223398 a.u.
Kinetic Energy= 433.33560784 a.u.
Potential Energy= -866.66784182 a.u.
Virial Ratio = -1.99999221