(1s 2 2s 2 3s 1 ) 2 S Ne 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 8.103402 | .17539813 |
| 2 | 2s | 2.826978 | -.98813293 |
| 3 | 3s | 2.257238 | 1.59038477 |
| 4 | 4s | 5.805543 | -.05925081 |
| 5 | 5s | 10.305779 | -.01438746 |
| 6 | 4s | 20.077245 | .00062283 |
| ORB.ENERGY,a.u. | -2.486700 | ||
| NORM | 1.000000 | < R > | 1.834441 | < R2 > | 3.804666 | < 1/R > | .770937 | < 1/R**2 > | 3.520229 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.672312 | .34884907 |
| 2 | 2s | 3.682317 | -.79031619 |
| 3 | 3s | 5.327363 | -.28554441 |
| 4 | 4s | 13.874336 | .01011037 |
| 5 | 5s | 5.554456 | -.01053176 |
| 6 | 3s | 15.436962 | .00355013 |
| 7 | 4s | 1.691242 | -.00210672 |
| 8 | 5s | 1.657512 | .00096861 |
| 9 | 5s | 56.827327 | -.00003143 |
| ORB.ENERGY,a.u. | -6.840400 | ||
| NORM | 1.000000 | < R > | .714392 | < R2 > | .597689 | < 1/R > | 2.034252 | < 1/R**2 > | 16.698230 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.291644 | .88640827 |
| 2 | 1s | 13.561270 | .10848249 |
| 3 | 2s | 7.761638 | .01567717 |
| 4 | 3s | 8.649453 | -.00745833 |
| 5 | 4s | 18.767573 | .00355288 |
| 6 | 5s | 14.560446 | -.00087910 |
| 7 | 3s | 38.624329 | -.00004093 |
| 8 | 5s | 2.881033 | -.00005875 |
| ORB.ENERGY,a.u. | -39.652000 |
| NORM | 1.000000 | < R > | .156210 | < R2 > | .032721 | < 1/R > | 9.671476 | < 1/R**2 > | 188.781983 |
Total Energy= -112.59530183 a.u.
Kinetic Energy= 112.59530524 a.u.
Potential Energy= -225.19060707 a.u.
Virial Ratio = -1.99999997