(1s 2 2s 1 3s 1 ) 1 S C 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 3s- electron | |
| 1 | 1s | 4.886881 | .05145237 |
| 2 | 2s | 1.515468 | -.37567415 |
| 3 | 3s | 1.087111 | 1.46933602 |
| 4 | 4s | 2.657842 | -.13735152 |
| 5 | 5s | 5.844025 | -.00843816 |
| 6 | 4s | 11.611319 | .00058804 |
| 7 | 5s | 1.195051 | -.17977210 |
| ORB.ENERGY,a.u. | -.655390 | ||
| NORM | 1.000000 | < R > | 3.528509 | < R2 > | 13.635704 | < 1/R > | .319261 | < 1/R**2 > | .204149 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.514001 | .30967106 |
| 2 | 2s | 2.494997 | -.34940631 |
| 3 | 3s | 2.619142 | -.74521001 |
| 4 | 4s | 1.322246 | .22337096 |
| 5 | 5s | 5.543310 | -.03612062 |
| 6 | 4s | 19.479290 | -.00142422 |
| 7 | 3s | 8.906638 | .00643955 |
| 8 | 5s | .897258 | .00168373 |
| 9 | 5s | 26.175915 | .00051981 |
| ORB.ENERGY,a.u. | -2.032100 | ||
| NORM | 1.000000 | < R > | 1.233173 | < R2 > | 1.919664 | < 1/R > | 1.192706 | < 1/R**2 > | 5.719996 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.283138 | .88211850 |
| 2 | 1s | 8.587099 | .12541523 |
| 3 | 2s | 4.321864 | .02003177 |
| 4 | 3s | 5.681154 | -.02615046 |
| 5 | 4s | 8.932377 | .00349393 |
| 6 | 5s | 15.040114 | .00150028 |
| 7 | 5s | 2.369907 | .00058092 |
| 8 | 5s | 45.336321 | -.00003060 |
| ORB.ENERGY,a.u. | -12.472000 |
| NORM | 1.000000 | < R > | .267450 | < R2 > | .096325 | < 1/R > | 5.677762 | < 1/R**2 > | 65.471448 |
Total Energy= -35.38615020 a.u.
Kinetic Energy= 35.38123597 a.u.
Potential Energy= -70.76738617 a.u.
Virial Ratio = -2.00013889