(1s 2 2s 1 3s 1 ) 3 S S 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 3s- electron | |
| 1 | 1s | 11.364344 | .26768307 |
| 2 | 2s | 5.094391 | -1.40639889 |
| 3 | 3s | 4.459836 | 1.97632162 |
| 4 | 4s | 8.155395 | -.11175811 |
| 5 | 5s | 14.123576 | -.02022565 |
| 6 | 4s | 27.533327 | .00214552 |
| 7 | 5s | 4.401950 | -.01194679 |
| 8 | 3s | 39.256855 | .00016747 |
| ORB.ENERGY,a.u. | -10.207000 | ||
| NORM | 1.000000 | < R > | .964640 | < R2 > | 1.053132 | < 1/R > | 1.509167 | < 1/R**2 > | 13.610590 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.211853 | .42455749 |
| 2 | 2s | 6.821847 | -.80876925 |
| 3 | 3s | 8.483085 | -.29989911 |
| 4 | 5s | 14.786396 | -.02450502 |
| 5 | 4s | 28.874413 | .00246476 |
| 6 | 5s | 8.173127 | .00627307 |
| 7 | 4s | 63.618442 | .00005559 |
| ORB.ENERGY,a.u. | -24.876000 | ||
| NORM | 1.000000 | < R > | .406808 | < R2 > | .193079 | < 1/R > | 3.634243 | < 1/R**2 > | 53.254225 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.407269 | .93916453 |
| 2 | 1s | 24.323801 | .04842190 |
| 3 | 2s | 18.703140 | .01657066 |
| 4 | 3s | 10.510039 | .00150049 |
| 5 | 4s | 65.418599 | -.00041419 |
| 6 | 5s | 87.738857 | .00014982 |
| 7 | 5s | 17.389800 | .00027604 |
| 8 | 4s | 4.367763 | -.00027469 |
| ORB.ENERGY,a.u. | -112.530000 |
| NORM | 1.000000 | < R > | .096158 | < R2 > | .012375 | < 1/R > | 15.670637 | < 1/R**2 > | 493.935232 |
Total Energy= -282.12135145 a.u.
Kinetic Energy= 282.17009430 a.u.
Potential Energy= -564.29144575 a.u.
Virial Ratio = -1.99982726