(1s 2 2s 1 5d 1 ) 3 D Na 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 5d- electron | |
| 1 | 3d | 1.575015 | 3.56000887 |
| 2 | 4d | 1.601644 | -9.10852140 |
| 3 | 5d | 1.618948 | 6.16039134 |
| 4 | 3d | 3.427996 | .04127473 |
| 5 | 5d | 6.990524 | -.00043533 |
| 6 | 5d | 1.396840 | .04330723 |
| 7 | 4d | 7.291487 | .00561034 |
| 8 | 3d | 12.087034 | .00060849 |
| ORB.ENERGY,a.u. | -1.297600 | ||
| NORM | 1.000004 | < R > | 4.250505 | < R2 > | 20.495302 | < 1/R > | .325813 | < 1/R**2 > | .215912 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.146459 | .39628771 |
| 2 | 2s | 4.580553 | -.78109478 |
| 3 | 3s | 5.374706 | -.30470646 |
| 4 | 5s | 9.325692 | -.03047677 |
| 5 | 4s | 18.824780 | .01004295 |
| 6 | 5s | 24.739448 | -.00272973 |
| 7 | 4s | 64.118038 | .00003693 |
| ORB.ENERGY,a.u. | -10.692000 | ||
| NORM | 1.000000 | < R > | .617606 | < R2 > | .444825 | < 1/R > | 2.371488 | < 1/R**2 > | 22.694815 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.452179 | .94308507 |
| 2 | 1s | 17.176090 | .04887338 |
| 3 | 2s | 12.481423 | .01226755 |
| 4 | 3s | 8.208296 | .00241312 |
| 5 | 4s | 43.076563 | -.00066213 |
| 6 | 5s | 57.160297 | .00024546 |
| 7 | 5s | 5.671108 | .00019608 |
| ORB.ENERGY,a.u. | -49.899000 |
| NORM | 1.000000 | < R > | .141415 | < R2 > | .026804 | < 1/R > | 10.676112 | < 1/R**2 > | 229.827133 |
Total Energy= -126.56253718 a.u.
Kinetic Energy= 126.53021932 a.u.
Potential Energy= -253.09275651 a.u.
Virial Ratio = -2.00025542