(1s 2 2s 2 2p 4 3p 1 ) 2 P Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 3p | .926638 | -1.01241550 |
| 2 | 2p | 1.881745 | .19013526 |
| 3 | 2p | 6.093735 | .02648489 |
| 4 | 4p | 7.383470 | .00634834 |
| 5 | 5p | .914138 | -.06192143 |
| 6 | 5p | 3.807358 | -.01368071 |
| ORB.ENERGY,a.u. | -.342730 | ||
| NORM | 1.000000 | < R > | 4.064392 | < R2 > | 18.634511 | < 1/R > | .289893 | < 1/R**2 > | .131222 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.620309 | .65108007 |
| 2 | 2p | 4.429130 | .39592067 |
| 3 | 2p | 11.124910 | .01101025 |
| 4 | 3p | 2.353130 | .02913732 |
| 5 | 4p | 6.577603 | -.03291557 |
| 6 | 4p | 1.144673 | -.02428205 |
| 7 | 5p | 21.948875 | -.00017466 |
| 8 | 5p | .894312 | -.00369707 |
| ORB.ENERGY,a.u. | -1.879600 | ||
| NORM | 1.000000 | < R > | .799794 | < R2 > | .803527 | < 1/R > | 1.643649 | < 1/R**2 > | 3.825882 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.315988 | .31762527 |
| 2 | 2s | 3.735436 | -.82490840 |
| 3 | 3s | 3.012085 | -.30121705 |
| 4 | 4s | 12.829779 | .01197249 |
| 5 | 3s | 14.447458 | .00431322 |
| 6 | 5s | 26.972313 | .00030755 |
| 7 | 5s | 2.039072 | -.02204981 |
| 8 | 4s | 1.825159 | .02631788 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .829388 | < R2 > | .820972 | < 1/R > | 1.744305 | < 1/R**2 > | 12.505768 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.237672 | .89611706 |
| 2 | 1s | 13.931446 | .09951520 |
| 3 | 1s | 10.702691 | .00169440 |
| 4 | 2s | 6.933963 | .01553487 |
| 5 | 3s | 10.828143 | -.00724077 |
| 6 | 4s | 18.657583 | .00286442 |
| 7 | 5s | 60.843768 | -.00003437 |
| 8 | 5s | 5.395201 | .00056370 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157465 | < R2 > | .033377 | < 1/R > | 9.623768 | < 1/R**2 > | 187.361586 |
Total Energy= -126.72356925 a.u.
Kinetic Energy= 126.71491330 a.u.
Potential Energy= -253.43848255 a.u.
Virial Ratio = -2.00006831