(1s 2 2s 1 3d 1 ) 1 D Cl 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 3d- electron | |
| 1 | 3d | 4.664692 | .99733984 |
| 2 | 3d | 10.539952 | .01043181 |
| 3 | 4d | 10.268810 | -.00426249 |
| 4 | 5d | 30.848832 | -.00036414 |
| 5 | 4d | 53.366592 | -.00003281 |
| ORB.ENERGY,a.u. | -10.887000 | ||
| NORM | 1.000000 | < R > | .748309 | < R2 > | .640765 | < 1/R > | 1.562516 | < 1/R**2 > | 2.940878 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.905977 | .43199280 |
| 2 | 2s | 7.374203 | -.81157056 |
| 3 | 3s | 8.936851 | -.30100068 |
| 4 | 5s | 15.744887 | -.02340391 |
| 5 | 4s | 32.726010 | .00274532 |
| 6 | 5s | 46.644070 | -.00050471 |
| 7 | 4s | 2.846663 | .00004000 |
| ORB.ENERGY,a.u. | -28.110000 | ||
| NORM | 1.000000 | < R > | .381835 | < R2 > | .170112 | < 1/R > | 3.873046 | < 1/R**2 > | 60.452156 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.395649 | .93935229 |
| 2 | 1s | 25.886686 | .04787917 |
| 3 | 2s | 20.338098 | .01681234 |
| 4 | 3s | 12.061918 | .00150752 |
| 5 | 4s | 68.151527 | -.00041775 |
| 6 | 5s | 90.970957 | .00015301 |
| 7 | 5s | 8.675326 | .00012540 |
| ORB.ENERGY,a.u. | -128.100000 |
| NORM | 1.000000 | < R > | .090342 | < R2 > | .010920 | < 1/R > | 16.673657 | < 1/R**2 > | 558.962388 |
Total Energy= -319.51649150 a.u.
Kinetic Energy= 318.97648266 a.u.
Potential Energy= -638.49297415 a.u.
Virial Ratio = -2.00169294