(1s 2 2s 2 2p 4 3d 1 ) 4 F Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4332.
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 | .688140 | .94409764 |
| 2 | 3d | 2.842435 | .02615353 |
| 3 | 4d | 1.753969 | .02104079 |
| 4 | 4d | .646189 | .04128328 |
| 5 | 5d | 4.675277 | -.00305458 |
| 6 | 4d | 16.933102 | .00003346 |
| ORB.ENERGY,a.u. | -.225960 | ||
| NORM | 1.000000 | < R > | 5.073819 | < R2 > | 29.654297 | < 1/R > | .233486 | < 1/R**2 > | .067592 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.636545 | .66287699 |
| 2 | 2p | 4.466321 | .38090151 |
| 3 | 2p | 11.038962 | .01116691 |
| 4 | 3p | 1.974544 | .03499174 |
| 5 | 4p | 6.570168 | -.03036392 |
| 6 | 4p | 2.078093 | -.00728988 |
| 7 | 5p | 22.988173 | -.00017182 |
| ORB.ENERGY,a.u. | -1.969200 | ||
| NORM | 1.000000 | < R > | .805216 | < R2 > | .814310 | < 1/R > | 1.637988 | < 1/R**2 > | 3.808362 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.313329 | .31819078 |
| 2 | 2s | 3.747381 | -.82133467 |
| 3 | 3s | 3.034584 | -.30451090 |
| 4 | 4s | 13.063266 | .01364176 |
| 5 | 3s | 16.747489 | .00272396 |
| 6 | 5s | 25.796233 | .00049719 |
| 7 | 5s | 1.987904 | -.00789926 |
| 8 | 3s | 1.551208 | .01107723 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828431 | < R2 > | .819003 | < 1/R > | 1.746454 | < 1/R**2 > | 12.535526 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241489 | .89813474 |
| 2 | 1s | 13.938282 | .09921483 |
| 3 | 2s | 6.887758 | .01562443 |
| 4 | 3s | 10.723499 | -.00730295 |
| 5 | 4s | 18.578261 | .00283095 |
| 6 | 5s | 61.485600 | -.00003605 |
| 7 | 5s | 5.125898 | .00050132 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157454 | < R2 > | .033371 | < 1/R > | 9.624186 | < 1/R**2 > | 187.374013 |
Total Energy= -126.59969796 a.u.
Kinetic Energy= 126.59808146 a.u.
Potential Energy= -253.19777942 a.u.
Virial Ratio = -2.00001277