(1s 2 2s 2 2p 4 5p 1 ) 2 S Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2051.
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 | 5p- electron | |
| 1 | 2p | 3.106098 | .06896904 |
| 2 | 3p | .827212 | -.74515916 |
| 3 | 4p | .531608 | 2.38157532 |
| 4 | 5p | .457301 | -2.41350611 |
| 5 | 2p | 6.127295 | .01233528 |
| 6 | 5p | 3.261917 | .01661796 |
| 7 | 5p | .400060 | .05546930 |
| 8 | 3p | 10.435572 | -.00071249 |
| ORB.ENERGY,a.u. | -.102580 | ||
| NORM | 1.000008 | < R > | 14.174561 | < R2 > | 226.123103 | < 1/R > | .098353 | < 1/R**2 > | .034682 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.651244 | .67885959 |
| 2 | 2p | 4.514393 | .36791180 |
| 3 | 2p | 11.343242 | .01009966 |
| 4 | 3p | 1.809077 | .03267471 |
| 5 | 4p | 6.590107 | -.02975534 |
| 6 | 4p | 1.436722 | -.01483137 |
| 7 | 5p | 1.375746 | .00671224 |
| 8 | 5p | .319364 | -.00081566 |
| 9 | 5p | 52.216954 | .00001787 |
| ORB.ENERGY,a.u. | -2.148900 | ||
| NORM | 1.000000 | < R > | .804575 | < R2 > | .812671 | < 1/R > | 1.638620 | < 1/R**2 > | 3.810365 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.311991 | .31823745 |
| 2 | 2s | 3.738278 | -.82637926 |
| 3 | 3s | 3.008682 | -.30174833 |
| 4 | 4s | 12.791465 | .01222034 |
| 5 | 3s | 14.524788 | .00429409 |
| 6 | 5s | 26.676381 | .00032866 |
| 7 | 5s | 2.082100 | -.02652236 |
| 8 | 4s | 1.865840 | .03253214 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828406 | < R2 > | .818851 | < 1/R > | 1.746353 | < 1/R**2 > | 12.533572 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241089 | .89794002 |
| 2 | 1s | 13.940196 | .09926181 |
| 3 | 1s | 6.853697 | .00018411 |
| 4 | 2s | 6.916610 | .01556494 |
| 5 | 3s | 10.775595 | -.00730937 |
| 6 | 4s | 18.628442 | .00283117 |
| 7 | 5s | 60.795225 | -.00003581 |
| 8 | 5s | 5.262230 | .00053381 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157457 | < R2 > | .033373 | < 1/R > | 9.624075 | < 1/R**2 > | 187.370664 |
Total Energy= -126.47590728 a.u.
Kinetic Energy= 126.47468776 a.u.
Potential Energy= -252.95059504 a.u.
Virial Ratio = -2.00000964