(1s 2 2s 2 2p 2 5d 1 ) 2 F Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2352.
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 | 2.749228 | 1.73425738 |
| 2 | 4d | 2.367505 | -4.60056079 |
| 3 | 5d | 2.187446 | 3.60082170 |
| 4 | 3d | 8.958612 | .01391832 |
| 5 | 5d | 4.859276 | -.03423579 |
| 6 | 4d | 21.161483 | -.00016270 |
| 7 | 5d | 1.739479 | -.01561796 |
| ORB.ENERGY,a.u. | -2.458200 | ||
| NORM | .999998 | < R > | 3.080639 | < R2 > | 10.779364 | < 1/R > | .452758 | < 1/R**2 > | .424255 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.732405 | 1.13867324 |
| 2 | 3p | 7.839137 | -.16174831 |
| 3 | 2p | 15.780233 | .02352067 |
| 4 | 4p | 17.977856 | .00683782 |
| 5 | 5p | 28.808469 | -.00056856 |
| 6 | 5p | 7.895822 | -.00721797 |
| 7 | 4p | 75.954376 | .00002036 |
| ORB.ENERGY,a.u. | -21.272000 | ||
| NORM | 1.000000 | < R > | .351468 | < R2 > | .149798 | < 1/R > | 3.603738 | < 1/R**2 > | 17.612542 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.332891 | .43071941 |
| 2 | 2s | 7.485412 | -.86883714 |
| 3 | 3s | 7.640583 | -.28600632 |
| 4 | 4s | 28.812660 | .00201684 |
| 5 | 3s | 15.622536 | .01707888 |
| 6 | 5s | 7.684347 | -.02028602 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .404039 | < R2 > | .191232 | < 1/R > | 3.634339 | < 1/R**2 > | 53.565860 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.060950 | .92144457 |
| 2 | 1s | 24.150261 | .07730346 |
| 3 | 2s | 15.028860 | .01928462 |
| 4 | 3s | 18.604434 | -.01560965 |
| 5 | 5s | 40.467993 | .00085018 |
| 6 | 4s | 97.275658 | -.00003117 |
| 7 | 5s | 12.588174 | .00032594 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090728 | < R2 > | .011030 | < 1/R > | 16.625450 | < 1/R**2 > | 556.389134 |
Total Energy= -383.64262654 a.u.
Kinetic Energy= 383.62065924 a.u.
Potential Energy= -767.26328577 a.u.
Virial Ratio = -2.00005726