(1s 2 2p 1 ) 2 P Ar 15+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 8.034337 | .96965702 |
| 2 | 2p | 14.907259 | .01679529 |
| 3 | 2p | 21.635962 | .00471333 |
| 4 | 3p | 12.050923 | .01623278 |
| 5 | 4p | 8.218936 | -.00215389 |
| 6 | 5p | 40.667809 | -.00019379 |
| ORB.ENERGY,a.u. | -32.496000 | ||
| NORM | 1.000000 | < R > | .307186 | < R2 > | .113514 | < 1/R > | 4.084784 | < 1/R**2 > | 22.384796 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.371810 | .94106917 |
| 2 | 1s | 27.984861 | .04537225 |
| 3 | 2s | 23.185418 | .01622503 |
| 4 | 3s | 16.645548 | .00345816 |
| 5 | 4s | 52.860932 | -.00076080 |
| 6 | 5s | 62.435235 | .00027622 |
| 7 | 5s | 10.891111 | .00004843 |
| 8 | 3s | 81.955697 | -.00006084 |
| ORB.ENERGY,a.u. | -147.320000 |
| NORM | 1.000000 | < R > | .085305 | < R2 > | .009737 | < 1/R > | 17.660658 | < 1/R**2 > | 627.132287 |
Total Energy= -345.29233713 a.u.
Kinetic Energy= 345.29233776 a.u.
Potential Energy= -690.58467490 a.u.
Virial Ratio = -2.00000000