(1s 2 2s 1 3d 1 ) 3 D Na 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 2.716410 | 1.00172235 |
| 2 | 3d | 5.301595 | .02634888 |
| 3 | 4d | 10.067410 | -.00221728 |
| 4 | 5d | 3.427568 | -.02044951 |
| ORB.ENERGY,a.u. | -3.642000 | ||
| NORM | 1.000000 | < R > | 1.267703 | < R2 > | 1.843931 | < 1/R > | .925066 | < 1/R**2 > | 1.033882 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.352604 | .38014876 |
| 2 | 2s | 4.366197 | -.77744562 |
| 3 | 3s | 5.621135 | -.29228210 |
| 4 | 5s | 9.852085 | -.02900970 |
| 5 | 4s | 20.289839 | .00574367 |
| 6 | 5s | 27.609514 | -.00136374 |
| 7 | 4s | 76.722593 | .00001348 |
| ORB.ENERGY,a.u. | -10.154000 | ||
| NORM | 1.000000 | < R > | .622464 | < R2 > | .452539 | < 1/R > | 2.352524 | < 1/R**2 > | 22.354855 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.452287 | .94308696 |
| 2 | 1s | 17.175262 | .04887603 |
| 3 | 2s | 12.487825 | .01226592 |
| 4 | 3s | 8.202136 | .00241395 |
| 5 | 4s | 43.110495 | -.00067578 |
| 6 | 5s | 57.197324 | .00025472 |
| 7 | 5s | 5.565339 | .00019520 |
| ORB.ENERGY,a.u. | -49.899000 |
| NORM | 1.000000 | < R > | .141412 | < R2 > | .026803 | < 1/R > | 10.676262 | < 1/R**2 > | 229.832650 |
Total Energy= -129.07910274 a.u.
Kinetic Energy= 128.87448969 a.u.
Potential Energy= -257.95359243 a.u.
Virial Ratio = -2.00158769