(1s 2 2s 1 5d 1 ) 1 D Na 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 1.600119 | 3.51669542 |
| 2 | 4d | 1.602134 | -8.79628723 |
| 3 | 5d | 1.602385 | 5.95995685 |
| 4 | 3d | 7.052464 | .00631453 |
| 5 | 5d | 1.430541 | .00718068 |
| 6 | 5d | 19.206778 | -.00028739 |
| 7 | 4d | 3.859775 | .00576370 |
| 8 | 4d | 33.058166 | -.00002652 |
| ORB.ENERGY,a.u. | -1.282400 | ||
| NORM | .999998 | < R > | 4.298846 | < R2 > | 20.984311 | < 1/R > | .323098 | < 1/R**2 > | .212121 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.198832 | .39316857 |
| 2 | 2s | 4.535751 | -.77889345 |
| 3 | 3s | 5.443868 | -.30120831 |
| 4 | 5s | 9.441575 | -.03168715 |
| 5 | 4s | 19.357929 | .00857965 |
| 6 | 5s | 25.767339 | -.00225724 |
| 7 | 4s | 68.630824 | .00002720 |
| ORB.ENERGY,a.u. | -10.676000 | ||
| NORM | 1.000000 | < R > | .617533 | < R2 > | .444808 | < 1/R > | 2.372545 | < 1/R**2 > | 22.721089 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.452068 | .94307936 |
| 2 | 1s | 17.175082 | .04888104 |
| 3 | 2s | 12.474416 | .01226594 |
| 4 | 3s | 8.163517 | .00243185 |
| 5 | 4s | 43.047282 | -.00066082 |
| 6 | 5s | 57.103320 | .00024453 |
| 7 | 5s | 5.660797 | .00020540 |
| ORB.ENERGY,a.u. | -49.899000 |
| NORM | 1.000000 | < R > | .141419 | < R2 > | .026806 | < 1/R > | 10.675943 | < 1/R**2 > | 229.821725 |
Total Energy= -126.56266489 a.u.
Kinetic Energy= 126.51506085 a.u.
Potential Energy= -253.07772574 a.u.
Virial Ratio = -2.00037627