(1s 2 4s 1 ) 2 S Na 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 8.083361 | .16323573 |
| 2 | 2s | 2.751776 | -1.50376462 |
| 3 | 3s | 2.287043 | 4.92295896 |
| 4 | 4s | 2.284156 | -4.43398149 |
| 5 | 5s | 3.525274 | .30226828 |
| 6 | 4s | 6.521033 | -.10154501 |
| 7 | 5s | 19.806864 | .00213951 |
| 8 | 4s | 26.689272 | .00054578 |
| 9 | 5s | .995159 | .00023192 |
| ORB.ENERGY,a.u. | -2.634300 | ||
| NORM | .999997 | < R > | 2.566387 | < R2 > | 7.409212 | < 1/R > | .576609 | < 1/R**2 > | 2.667803 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.465092 | .93792474 |
| 2 | 1s | 17.494701 | .04957499 |
| 3 | 2s | 13.594743 | .01670798 |
| 4 | 3s | 10.714111 | .00311521 |
| 5 | 4s | 31.044211 | -.00153553 |
| 6 | 5s | 36.790060 | .00063268 |
| 7 | 3s | 50.310448 | -.00010190 |
| ORB.ENERGY,a.u. | -53.238000 |
| NORM | 1.000000 | < R > | .141209 | < R2 > | .026708 | < 1/R > | 10.686434 | < 1/R**2 > | 230.189334 |
Total Energy= -116.86770783 a.u.
Kinetic Energy= 116.86773524 a.u.
Potential Energy= -233.73544307 a.u.
Virial Ratio = -1.99999977