(1s 2 2s 2 2p 5 5p 1 ) 1 D Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 2.017894 | .02499364 |
| 2 | 3p | .648832 | -.35962530 |
| 3 | 4p | .308003 | 1.61908689 |
| 4 | 5p | .245461 | -1.81793179 |
| 5 | 2p | 4.783906 | .01767610 |
| 6 | 5p | 5.434511 | .00274095 |
| 7 | 5p | .629061 | -.15752988 |
| 8 | 3p | 9.177180 | -.00075488 |
| ORB.ENERGY,a.u. | -.028474 | ||
| NORM | 1.000002 | < R > | 25.431973 | < R2 > | 729.684517 | < 1/R > | .054621 | < 1/R**2 > | .010011 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.721701 | .12386418 |
| 2 | 2p | 2.662903 | .62357172 |
| 3 | 2p | 4.570634 | .25711604 |
| 4 | 2p | 8.597752 | .03145659 |
| 5 | 4p | 2.416911 | .07879537 |
| 6 | 4p | 9.127325 | .01102079 |
| 7 | 3p | 1.919869 | -.04336650 |
| 8 | 3p | 27.562268 | .00004118 |
| 9 | 5p | .385281 | .00185357 |
| 10 | 3p | .199094 | -.00195794 |
| ORB.ENERGY,a.u. | -1.367500 | ||
| NORM | 1.000000 | < R > | .875910 | < R2 > | .982339 | < 1/R > | 1.536839 | < 1/R**2 > | 3.419968 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.401777 | .30223521 |
| 2 | 2s | 3.731968 | -.78543379 |
| 3 | 3s | 2.883177 | -.34113255 |
| 4 | 4s | 13.310709 | .01538093 |
| 5 | 3s | 23.371854 | .00200190 |
| 6 | 5s | 1.846588 | -.01626444 |
| 7 | 5s | 24.636482 | .00178926 |
| 8 | 4s | 1.493393 | .01889329 |
| 9 | 3s | 1.067317 | -.00427312 |
| 10 | 2s | 50.383745 | .00004360 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860332 | < R2 > | .890409 | < 1/R > | 1.685523 | < 1/R**2 > | 11.735171 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241489 | .92190167 |
| 2 | 1s | 14.464917 | .08150821 |
| 3 | 2s | 5.556865 | .00858318 |
| 4 | 3s | 13.416524 | -.00702880 |
| 5 | 4s | 19.908674 | .00340533 |
| 6 | 5s | 31.576671 | -.00006307 |
| 7 | 5s | 3.669132 | .00023515 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620042 | < 1/R**2 > | 187.253544 |
Total Energy= -127.84633409 a.u.
Kinetic Energy= 127.84649010 a.u.
Potential Energy= -255.69282419 a.u.
Virial Ratio = -1.99999878