(1s 2 3d 1 ) 2 D Na 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 3.001383 | .99957186 |
| 2 | 3d | 8.342388 | .00234498 |
| 3 | 4d | 10.645706 | -.00140171 |
| ORB.ENERGY,a.u. | -4.503000 | ||
| NORM | 1.000000 | < R > | 1.165693 | < R2 > | 1.553217 | < 1/R > | 1.001160 | < 1/R**2 > | 1.203599 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.465731 | .93791666 |
| 2 | 1s | 17.494702 | .04957280 |
| 3 | 2s | 13.617500 | .01670978 |
| 4 | 3s | 10.615665 | .00310559 |
| 5 | 4s | 32.165300 | -.00153108 |
| 6 | 5s | 38.319197 | .00063023 |
| 7 | 3s | 55.553543 | -.00007653 |
| ORB.ENERGY,a.u. | -52.745000 |
| NORM | 1.000000 | < R > | .141200 | < R2 > | .026704 | < 1/R > | 10.687095 | < 1/R**2 > | 230.215028 |
Total Energy= -118.74572184 a.u.
Kinetic Energy= 118.73811169 a.u.
Potential Energy= -237.48383353 a.u.
Virial Ratio = -2.00006409