(1s 2 2s 1 3s 1 ) 1 S Na 7+
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 | 6.395743 | .11923773 |
| 2 | 2s | 3.495845 | -.66600199 |
| 3 | 3s | 2.778697 | 1.60038022 |
| 4 | 4s | 4.926730 | -.18917581 |
| 5 | 5s | 7.588574 | -.02156986 |
| 6 | 4s | 18.422032 | .00166650 |
| 7 | 5s | 2.682661 | -.01733129 |
| 8 | 3s | 75.931491 | -.00000914 |
| ORB.ENERGY,a.u. | -4.016100 | ||
| NORM | 1.000000 | < R > | 1.536615 | < R2 > | 2.571670 | < 1/R > | .734326 | < 1/R**2 > | 1.164952 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.186697 | .37082952 |
| 2 | 2s | 4.498831 | -.46951599 |
| 3 | 3s | 5.697779 | -.69557739 |
| 4 | 4s | 3.101829 | .31397939 |
| 5 | 5s | 11.456716 | -.02254515 |
| 6 | 4s | 28.166479 | -.00078762 |
| 7 | 3s | 19.420498 | .00592234 |
| 8 | 2s | 35.090337 | .00043165 |
| 9 | 5s | 2.017449 | .01363438 |
| 10 | 3s | 1.626042 | -.02317456 |
| ORB.ENERGY,a.u. | -10.282000 | ||
| NORM | 1.000000 | < R > | .587116 | < R2 > | .437768 | < 1/R > | 2.595648 | < 1/R**2 > | 27.057468 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.450400 | .94277345 |
| 2 | 1s | 17.136640 | .04917472 |
| 3 | 2s | 12.342459 | .01223470 |
| 4 | 3s | 7.857693 | .00266938 |
| 5 | 4s | 44.144644 | -.00061623 |
| 6 | 5s | 58.960569 | .00022540 |
| 7 | 5s | 4.450342 | .00034987 |
| ORB.ENERGY,a.u. | -49.899000 |
| NORM | 1.000000 | < R > | .141474 | < R2 > | .026833 | < 1/R > | 10.673205 | < 1/R**2 > | 229.725988 |
Total Energy= -129.25695605 a.u.
Kinetic Energy= 129.24386972 a.u.
Potential Energy= -258.50082577 a.u.
Virial Ratio = -2.00010125