(1s 2 2s 1 3d 1 ) 1 D Na 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 2.662226 | .99805230 |
| 2 | 3d | 6.472686 | .01281003 |
| 3 | 4d | 6.012903 | -.00621648 |
| 4 | 5d | 18.832055 | -.00044814 |
| 5 | 4d | 32.228148 | -.00003831 |
| ORB.ENERGY,a.u. | -3.548700 | ||
| NORM | 1.000000 | < R > | 1.311154 | < R2 > | 1.967669 | < 1/R > | .892383 | < 1/R**2 > | .960769 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.243792 | .39038557 |
| 2 | 2s | 4.506610 | -.77434599 |
| 3 | 3s | 5.454579 | -.29833855 |
| 4 | 5s | 9.659024 | -.03560555 |
| 5 | 4s | 20.235534 | .00652941 |
| 6 | 5s | 27.163222 | -.00157234 |
| 7 | 4s | 1.762809 | .00006510 |
| 8 | 3s | 46.912010 | .00004829 |
| ORB.ENERGY,a.u. | -10.061000 | ||
| NORM | 1.000000 | < R > | .617898 | < R2 > | .445483 | < 1/R > | 2.372200 | < 1/R**2 > | 22.727313 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.451949 | .94302355 |
| 2 | 1s | 17.169353 | .04892081 |
| 3 | 2s | 12.461653 | .01225304 |
| 4 | 3s | 8.081038 | .00251982 |
| 5 | 4s | 43.190799 | -.00065721 |
| 6 | 5s | 57.380275 | .00024299 |
| 7 | 5s | 5.700065 | .00024108 |
| ORB.ENERGY,a.u. | -49.899000 |
| NORM | 1.000000 | < R > | .141431 | < R2 > | .026813 | < 1/R > | 10.675445 | < 1/R**2 > | 229.806052 |
Total Energy= -129.05269247 a.u.
Kinetic Energy= 128.78097036 a.u.
Potential Energy= -257.83366283 a.u.
Virial Ratio = -2.00210996