(1s 2 2s 2 2p 1 ) 2 P Ar 13+
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 | 7.676805 | .96910466 |
| 2 | 2p | 14.250075 | .02912260 |
| 3 | 2p | 22.124704 | .00449950 |
| 4 | 3p | 10.059672 | .03164119 |
| 5 | 4p | 11.593684 | -.02972189 |
| 6 | 5p | 43.179755 | -.00017983 |
| 7 | 5p | 7.961258 | .00424573 |
| ORB.ENERGY,a.u. | -27.719000 | ||
| NORM | 1.000000 | < R > | .319972 | < R2 > | .123706 | < 1/R > | 3.941614 | < 1/R**2 > | 20.964221 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.984145 | .40613008 |
| 2 | 2s | 7.391887 | -.82788116 |
| 3 | 3s | 9.342387 | -.28643209 |
| 4 | 4s | 10.034079 | .01090645 |
| 5 | 5s | 18.338891 | -.01215686 |
| 6 | 4s | 36.362413 | .00143188 |
| 7 | 5s | 5.193418 | .00017028 |
| 8 | 5s | 56.411601 | -.00015947 |
| ORB.ENERGY,a.u. | -45.489000 | ||
| NORM | 1.000000 | < R > | .371288 | < R2 > | .161169 | < 1/R > | 3.965170 | < 1/R**2 > | 63.507077 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.024034 | .92709986 |
| 2 | 1s | 25.442133 | .07534029 |
| 3 | 2s | 13.853470 | .02009503 |
| 4 | 3s | 19.895384 | -.01662440 |
| 5 | 5s | 43.999761 | .00090853 |
| 6 | 4s | 17.141716 | -.00569343 |
| 7 | 4s | 116.454290 | -.00001955 |
| ORB.ENERGY,a.u. | -141.340000 |
| NORM | 1.000000 | < R > | .085399 | < R2 > | .009762 | < 1/R > | 17.646048 | < 1/R**2 > | 626.241717 |
Total Energy= -405.21188469 a.u.
Kinetic Energy= 405.21187776 a.u.
Potential Energy= -810.42376245 a.u.
Virial Ratio = -2.00000002