(1s 2 2s 1 4d 1 ) 1 D Mg 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 4d- electron | |
| 1 | 3d | 2.345705 | 1.83729208 |
| 2 | 4d | 2.248500 | -2.34111853 |
| 3 | 3d | 7.179506 | .01029686 |
| 4 | 4d | 7.562053 | -.00332750 |
| 5 | 5d | 21.368102 | -.00037904 |
| 6 | 5d | 2.057590 | -.00233568 |
| 7 | 4d | 37.128239 | -.00003525 |
| ORB.ENERGY,a.u. | -2.535100 | ||
| NORM | 1.000001 | < R > | 2.324450 | < R2 > | 6.186031 | < 1/R > | .567970 | < 1/R**2 > | .521651 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.002149 | .40087890 |
| 2 | 2s | 4.999537 | -.78498460 |
| 3 | 3s | 6.027637 | -.30081071 |
| 4 | 5s | 10.527126 | -.03011656 |
| 5 | 4s | 21.308485 | .00676706 |
| 6 | 5s | 28.252430 | -.00150296 |
| 7 | 5s | 3.095361 | -.00028826 |
| 8 | 3s | 43.695592 | .00007219 |
| ORB.ENERGY,a.u. | -12.909000 | ||
| NORM | 1.000000 | < R > | .560160 | < R2 > | .366076 | < 1/R > | 2.621670 | < 1/R**2 > | 27.740055 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.426752 | .93798743 |
| 2 | 1s | 18.627676 | .05161198 |
| 3 | 2s | 14.285219 | .01477182 |
| 4 | 3s | 9.038630 | .00219629 |
| 5 | 4s | 46.746797 | -.00062419 |
| 6 | 5s | 61.938311 | .00023160 |
| 7 | 5s | 6.529040 | .00023100 |
| ORB.ENERGY,a.u. | -60.402000 |
| NORM | 1.000000 | < R > | .129243 | < R2 > | .022380 | < 1/R > | 11.675428 | < 1/R**2 > | 274.679580 |
Total Energy= -152.73276110 a.u.
Kinetic Energy= 152.61922496 a.u.
Potential Energy= -305.35198606 a.u.
Virial Ratio = -2.00074392