(1s 2 2s 1 5s 1 ) 1 S Ar 14+
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 | 2.018050 | 1.29778257 |
| 2 | 2s | 2.510343 | -9.88987655 |
| 3 | 3s | 3.696484 | 10.47162463 |
| 4 | 4s | 2.925918 | -9.89753176 |
| 5 | 5s | 3.022124 | 9.43507501 |
| 6 | 5s | 4.420044 | .12246857 |
| 7 | 1s | 24.401119 | .00322724 |
| 8 | 4s | 15.125481 | .01126495 |
| 9 | 5s | 21.473678 | -.00312185 |
| ORB.ENERGY,a.u. | -4.673800 | ||
| NORM | 1.000002 | < R > | 2.410397 | < R2 > | 6.503909 | < 1/R > | .568419 | < 1/R**2 > | 2.120949 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 16.823116 | .36059381 |
| 2 | 2s | 4.812452 | -.85798861 |
| 3 | 3s | 10.905794 | -.57487694 |
| 4 | 4s | 6.183224 | .49162450 |
| 5 | 5s | 2.580786 | .77036748 |
| 6 | 5s | 28.966947 | -.00381266 |
| 7 | 4s | 2.234689 | -.84787046 |
| 8 | 4s | 43.486446 | -.00250933 |
| 9 | 3s | 1.626886 | .08522044 |
| 10 | 3s | 61.736268 | -.00080197 |
| 11 | 2s | 89.148004 | -.00009611 |
| ORB.ENERGY,a.u. | -33.194000 | ||
| NORM | 1.000000 | < R > | .362096 | < R2 > | .169957 | < 1/R > | 4.171390 | < 1/R**2 > | 70.178965 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.363561 | .93870891 |
| 2 | 1s | 27.448077 | .04857058 |
| 3 | 2s | 22.100397 | .01696504 |
| 4 | 3s | 10.936743 | .00135496 |
| 5 | 4s | 71.788374 | -.00040487 |
| 6 | 5s | 95.691968 | .00014862 |
| 7 | 5s | 7.341077 | .00346001 |
| 8 | 4s | 6.077650 | -.00367903 |
| 9 | 3s | 1.414441 | .00020983 |
| ORB.ENERGY,a.u. | -144.680000 |
| NORM | 1.000000 | < R > | .085203 | < R2 > | .009711 | < 1/R > | 17.674343 | < 1/R**2 > | 627.863912 |
Total Energy= -351.12360765 a.u.
Kinetic Energy= 351.10886801 a.u.
Potential Energy= -702.23247566 a.u.
Virial Ratio = -2.00004198