(1s 2 2s 1 5s 1 ) 3 S Mg 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
| 1 | 1s | 7.541697 | .12534507 |
| 2 | 2s | 1.655421 | -4.99667702 |
| 3 | 3s | 2.303112 | 7.56124867 |
| 4 | 4s | 1.921283 | -7.46239656 |
| 5 | 5s | 1.850685 | 5.87248475 |
| 6 | 5s | 8.547971 | -.00384858 |
| 7 | 1s | 18.914254 | .00252219 |
| 8 | 4s | 34.104077 | -.00015763 |
| 9 | 5s | 99.211206 | -.00000620 |
| ORB.ENERGY,a.u. | -1.727200 | ||
| NORM | 1.000001 | < R > | 3.917800 | < R2 > | 17.177082 | < 1/R > | .373671 | < 1/R**2 > | 1.376536 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.946030 | .40489888 |
| 2 | 2s | 5.046198 | -.78784641 |
| 3 | 3s | 5.987158 | -.30318963 |
| 4 | 5s | 10.361851 | -.02938673 |
| 5 | 4s | 20.922582 | .00824772 |
| 6 | 5s | 27.654960 | -.00217443 |
| 7 | 4s | 72.430743 | .00002836 |
| ORB.ENERGY,a.u. | -13.169000 | ||
| NORM | 1.000000 | < R > | .559283 | < R2 > | .364806 | < 1/R > | 2.625763 | < 1/R**2 > | 27.819826 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.425237 | .93769545 |
| 2 | 1s | 18.498393 | .05236583 |
| 3 | 2s | 14.083090 | .01453485 |
| 4 | 3s | 8.474078 | .00208031 |
| 5 | 4s | 44.170517 | -.00068056 |
| 6 | 5s | 56.186483 | .00020962 |
| 7 | 5s | 3.570478 | .00011437 |
| 8 | 3s | 77.948544 | -.00002177 |
| 9 | 4s | .901047 | -.00012137 |
| ORB.ENERGY,a.u. | -60.402000 |
| NORM | 1.000000 | < R > | .129247 | < R2 > | .022382 | < 1/R > | 11.675075 | < 1/R**2 > | 274.664804 |
Total Energy= -151.80519379 a.u.
Kinetic Energy= 151.81010609 a.u.
Potential Energy= -303.61529987 a.u.
Virial Ratio = -1.99996764