(1s 2 2s 2 2p 5 4s 1 ) 3 P Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 4s- electron | |
| 1 | 1s | 8.734869 | .02358453 |
| 2 | 2s | 3.002074 | -.08723660 |
| 3 | 3s | .814282 | .63873582 |
| 4 | 4s | .427520 | -1.07269319 |
| 5 | 5s | 1.175972 | -.09812259 |
| 6 | 4s | 7.836454 | -.00696320 |
| 7 | 5s | 20.814436 | -.00004700 |
| 8 | 5s | .358154 | -.04901192 |
| ORB.ENERGY,a.u. | -.068291 | ||
| NORM | .999999 | < R > | 11.052426 | < R2 > | 138.659400 | < 1/R > | .121666 | < 1/R**2 > | .096326 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.682739 | .13329999 |
| 2 | 2p | 2.555288 | .59660167 |
| 3 | 2p | 4.503178 | .30370186 |
| 4 | 2p | 10.174166 | .01882954 |
| 5 | 4p | 2.237459 | .02849698 |
| 6 | 4p | 10.417223 | .01261483 |
| 7 | 3p | 1.606595 | -.01737502 |
| 8 | 3p | 14.253816 | .00205781 |
| ORB.ENERGY,a.u. | -1.300800 | ||
| NORM | 1.000000 | < R > | .876581 | < R2 > | .984065 | < 1/R > | 1.536177 | < 1/R**2 > | 3.417730 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.454671 | .29940133 |
| 2 | 2s | 3.714157 | -.79352601 |
| 3 | 3s | 2.792061 | -.35892703 |
| 4 | 4s | 13.192504 | .01704454 |
| 5 | 3s | 20.306664 | .00729725 |
| 6 | 5s | 2.380584 | -.03122184 |
| 7 | 4s | 2.323972 | .05699023 |
| 8 | 5s | 33.329103 | -.00169567 |
| 9 | 3s | .283931 | .00147100 |
| 10 | 4s | 42.825312 | -.00070277 |
| 11 | 2s | 70.523243 | .00003362 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860492 | < R2 > | .891239 | < 1/R > | 1.685445 | < 1/R**2 > | 11.734812 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241922 | .92190348 |
| 2 | 1s | 14.464389 | .08148015 |
| 3 | 2s | 5.559251 | .00859368 |
| 4 | 3s | 13.423836 | -.00702761 |
| 5 | 4s | 19.901428 | .00342655 |
| 6 | 5s | 31.104852 | -.00006561 |
| 7 | 5s | 3.599805 | .00024109 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157570 | < R2 > | .033435 | < 1/R > | 9.620081 | < 1/R**2 > | 187.254603 |
Total Energy= -127.88565556 a.u.
Kinetic Energy= 127.88608932 a.u.
Potential Energy= -255.77174488 a.u.
Virial Ratio = -1.99999661