(1s 2 2s 1 4d 1 ) 1 D Na 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 4d- electron | |
| 1 | 3d | 1.973709 | 2.22452250 |
| 2 | 4d | 2.002614 | -2.75391305 |
| 3 | 3d | 6.458039 | .01087495 |
| 4 | 4d | 6.785825 | -.00370624 |
| 5 | 5d | 19.372358 | -.00038962 |
| 6 | 5d | 1.780218 | -.00327131 |
| 7 | 4d | 33.728917 | -.00003525 |
| ORB.ENERGY,a.u. | -2.002500 | ||
| NORM | 1.000001 | < R > | 2.615270 | < R2 > | 7.831525 | < 1/R > | .504977 | < 1/R**2 > | .412631 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.223881 | .39141077 |
| 2 | 2s | 4.519463 | -.77732219 |
| 3 | 3s | 5.453692 | -.30050077 |
| 4 | 5s | 9.548900 | -.03213991 |
| 5 | 4s | 19.320992 | .00816406 |
| 6 | 5s | 25.336655 | -.00201348 |
| 7 | 5s | 2.900341 | -.00037148 |
| 8 | 3s | 41.665949 | .00008543 |
| ORB.ENERGY,a.u. | -10.485000 | ||
| NORM | 1.000000 | < R > | .617967 | < R2 > | .445547 | < 1/R > | 2.371278 | < 1/R**2 > | 22.702828 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.451957 | .94305006 |
| 2 | 1s | 17.171365 | .04891238 |
| 3 | 2s | 12.464050 | .01226547 |
| 4 | 3s | 8.117048 | .00245027 |
| 5 | 4s | 43.078847 | -.00066032 |
| 6 | 5s | 57.155143 | .00024457 |
| 7 | 5s | 5.647799 | .00021114 |
| ORB.ENERGY,a.u. | -49.899000 |
| NORM | 1.000000 | < R > | .141423 | < R2 > | .026808 | < 1/R > | 10.675794 | < 1/R**2 > | 229.817066 |
Total Energy= -127.33457228 a.u.
Kinetic Energy= 127.23505496 a.u.
Potential Energy= -254.56962724 a.u.
Virial Ratio = -2.00078215