(1s 1 5s 1 ) 1 S Ar 16+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 5s- electron | |
| 1 | 1s | 2.173764 | 1.19821941 |
| 2 | 2s | 4.558271 | -3.12550210 |
| 3 | 3s | 3.734731 | 8.67602733 |
| 4 | 4s | 3.203562 | -20.67845483 |
| 5 | 5s | 3.360055 | 14.61551412 |
| 6 | 2s | 11.324429 | .07175744 |
| 7 | 5s | 21.358591 | -.00324907 |
| 8 | 4s | 3.040270 | -.04462897 |
| 9 | 2s | 20.882585 | .00128427 |
| 10 | 3s | 75.671569 | -.00001388 |
| ORB.ENERGY,a.u. | -6.538700 | ||
| NORM | 1.000000 | < R > | 2.187353 | < R2 > | 5.361570 | < 1/R > | .644414 | < 1/R**2 > | 2.162316 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 18.006593 | 1.00172349 |
| 2 | 2s | 1.521416 | .29761746 |
| 3 | 3s | 8.217753 | -.05204966 |
| 4 | 4s | 10.304304 | .01760608 |
| 5 | 5s | 4.337732 | -.18599830 |
| 6 | 4s | 1.893029 | -.12061568 |
| 7 | 5s | 35.344228 | -.00004229 |
| 8 | 3s | .619783 | -.00025799 |
| ORB.ENERGY,a.u. | -162.060000 |
| NORM | 1.000000 | < R > | .085130 | < R2 > | .014695 | < 1/R > | 18.038203 | < 1/R**2 > | 650.493675 |
Total Energy= -167.83636346 a.u.
Kinetic Energy= 167.82413792 a.u.
Potential Energy= -335.66050138 a.u.
Virial Ratio = -2.00007285