(1s 2 2s 2 2p 6 3s 2 4p 1 ) 2 P Ar 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | 1.240143 | .27268600 |
| 2 | 5p | 2.009164 | .96786880 |
| 3 | 4p | 3.407851 | -.65683215 |
| 4 | 2p | 8.240209 | .16381445 |
| 5 | 5p | 6.099567 | -.11197109 |
| 6 | 3p | 11.775447 | -.01468473 |
| 7 | 4p | 16.316880 | .00258651 |
| ORB.ENERGY,a.u. | -1.545500 | ||
| NORM | 1.000000 | < R > | 2.796026 | < R2 > | 8.807341 | < 1/R > | .492462 | < 1/R**2 > | .723385 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.475941 | -.36255680 |
| 2 | 1s | 13.240287 | .19180726 |
| 3 | 1s | 31.092543 | .00083427 |
| 4 | 2s | 6.441820 | -.33255935 |
| 5 | 3s | 3.093755 | 1.10937636 |
| 6 | 4s | 4.561691 | .19818396 |
| 7 | 5s | 38.312552 | .00038740 |
| 8 | 5s | 2.377439 | .00354255 |
| ORB.ENERGY,a.u. | -4.109000 | ||
| NORM | 1.000000 | < R > | 1.206988 | < R2 > | 1.652553 | < 1/R > | 1.141165 | < 1/R**2 > | 7.721999 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.485007 | .43190844 |
| 2 | 3p | 8.326901 | .49952556 |
| 3 | 5p | 5.585207 | .00878952 |
| 4 | 4p | 6.890320 | .16274014 |
| 5 | 2p | 24.599609 | .00175056 |
| 6 | 5p | 39.166055 | -.00016503 |
| 7 | 4p | 105.137537 | .00000364 |
| 8 | 4p | 1.505653 | -.00005537 |
| ORB.ENERGY,a.u. | -12.934000 | ||
| NORM | 1.000000 | < R > | .372970 | < R2 > | .171818 | < 1/R > | 3.466405 | < 1/R**2 > | 16.661531 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.347491 | .39154936 |
| 2 | 2s | 7.616742 | -.83538717 |
| 3 | 3s | 6.780060 | -.30301580 |
| 4 | 4s | 30.086849 | .00316692 |
| 5 | 3s | 15.163212 | .01076673 |
| 6 | 2s | 2.906733 | -.02891288 |
| 7 | 4s | 3.735409 | .01344780 |
| 8 | 5s | 39.410756 | -.00040906 |
| 9 | 2s | 65.912740 | -.00001233 |
| 10 | 5s | 2.392236 | .00022329 |
| ORB.ENERGY,a.u. | -15.566000 | ||
| NORM | 1.000000 | < R > | .409221 | < R2 > | .197840 | < 1/R > | 3.580150 | < 1/R**2 > | 52.639411 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.585960 | 1.00963114 |
| 2 | 2s | 23.198385 | -.01668569 |
| 3 | 3s | 16.305627 | .01508947 |
| 4 | 4s | 26.339679 | -.00077542 |
| 5 | 4s | 12.480606 | .00420293 |
| 6 | 5s | 44.150625 | .00035441 |
| 7 | 5s | 14.353750 | -.00246186 |
| 8 | 2s | 28.266929 | -.00294656 |
| 9 | 2s | 71.371610 | .00005536 |
| 10 | 5s | 8.550628 | .00007843 |
| ORB.ENERGY,a.u. | -121.640000 |
| NORM | 1.000000 | < R > | .086066 | < R2 > | .009949 | < 1/R > | 17.558252 | < 1/R**2 > | 621.401281 |
Total Energy= -517.22607714 a.u.
Kinetic Energy= 517.22606810 a.u.
Potential Energy= -1034.45214524 a.u.
Virial Ratio = -2.00000002