(1s 2 2s 2 2p 4 3d 1 ) 2 F Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2332.
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 | 3d- electron | |
| 1 | 3d | .680421 | .97532134 |
| 2 | 5d | 4.789478 | -.00243193 |
| 3 | 3d | 2.967720 | .01930242 |
| 4 | 4d | 1.836907 | .01425522 |
| 5 | 5d | .696792 | .01595930 |
| 6 | 4d | 17.294328 | .00002550 |
| ORB.ENERGY,a.u. | -.224760 | ||
| NORM | 1.000000 | < R > | 5.125219 | < R2 > | 30.193160 | < 1/R > | .230229 | < 1/R**2 > | .065211 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.637698 | .66371645 |
| 2 | 2p | 4.468652 | .38009277 |
| 3 | 2p | 11.034480 | .01117689 |
| 4 | 3p | 1.974421 | .03470649 |
| 5 | 4p | 6.569852 | -.03025554 |
| 6 | 4p | 2.050040 | -.00738643 |
| 7 | 5p | 23.029224 | -.00017278 |
| ORB.ENERGY,a.u. | -1.968000 | ||
| NORM | 1.000000 | < R > | .804972 | < R2 > | .813661 | < 1/R > | 1.638266 | < 1/R**2 > | 3.809326 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.313685 | .31816823 |
| 2 | 2s | 3.748415 | -.82065177 |
| 3 | 3s | 3.037600 | -.30471890 |
| 4 | 4s | 13.088107 | .01371950 |
| 5 | 3s | 16.973392 | .00261284 |
| 6 | 5s | 25.758269 | .00052006 |
| 7 | 5s | 1.973627 | -.00736192 |
| 8 | 3s | 1.533772 | .01013144 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828422 | < R2 > | .818972 | < 1/R > | 1.746449 | < 1/R**2 > | 12.535380 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.240304 | .89775010 |
| 2 | 1s | 13.930890 | .09960594 |
| 3 | 1s | 4.945738 | -.00005541 |
| 4 | 2s | 6.928990 | .01555782 |
| 5 | 3s | 10.820816 | -.00727042 |
| 6 | 4s | 18.636606 | .00288829 |
| 7 | 5s | 61.179567 | -.00003348 |
| 8 | 5s | 5.303946 | .00055097 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157454 | < R2 > | .033371 | < 1/R > | 9.624170 | < 1/R**2 > | 187.373549 |
Total Energy= -126.59969993 a.u.
Kinetic Energy= 126.59688120 a.u.
Potential Energy= -253.19658113 a.u.
Virial Ratio = -2.00002227