(1s 2 2s 2 5s 1 ) 2 S Ar 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 12.971000 | .11554979 |
| 2 | 2s | 2.907020 | -3.26720711 |
| 3 | 3s | 3.075759 | 10.84642891 |
| 4 | 4s | 3.109239 | -12.54818562 |
| 5 | 5s | 2.882240 | 5.44754671 |
| 6 | 5s | 20.055267 | -.00482025 |
| 7 | 4s | 9.922064 | -.05064502 |
| 8 | 5s | 2.100361 | .02630736 |
| 9 | 4s | 1.458847 | -.00546070 |
| 10 | 4s | 41.358501 | .00002954 |
| ORB.ENERGY,a.u. | -4.168600 | ||
| NORM | 1.000001 | < R > | 2.527823 | < R2 > | 7.152248 | < 1/R > | .581789 | < 1/R**2 > | 3.366103 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.851247 | .41959951 |
| 2 | 2s | 7.601371 | -.82106521 |
| 3 | 3s | 9.520143 | -.29338478 |
| 4 | 5s | 17.644975 | -.01355778 |
| 5 | 4s | 35.278609 | .00238030 |
| 6 | 5s | 51.264847 | -.00039535 |
| 7 | 5s | 11.580747 | .00125234 |
| 8 | 4s | 6.218566 | .00100823 |
| 9 | 3s | 1.042036 | -.00005653 |
| ORB.ENERGY,a.u. | -30.808000 | ||
| NORM | 1.000000 | < R > | .364677 | < R2 > | .155279 | < 1/R > | 4.042875 | < 1/R**2 > | 65.798757 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.083790 | .93407834 |
| 2 | 1s | 26.766837 | .06443058 |
| 3 | 2s | 18.881046 | .01961218 |
| 4 | 3s | 20.369089 | -.01686462 |
| 5 | 5s | 41.064062 | .00080558 |
| 6 | 4s | 91.654548 | -.00005084 |
| 7 | 5s | 19.263404 | -.00027990 |
| ORB.ENERGY,a.u. | -144.130000 |
| NORM | 1.000000 | < R > | .085224 | < R2 > | .009714 | < 1/R > | 17.669676 | < 1/R**2 > | 627.553126 |
Total Energy= -381.69421855 a.u.
Kinetic Energy= 381.69420880 a.u.
Potential Energy= -763.38842734 a.u.
Virial Ratio = -2.00000003