(1s 2 2s 2 2p 5 5d 1 ) 1 D Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 5d- electron | |
| 1 | 3d | .203125 | 3.30732734 |
| 2 | 4d | .201302 | -8.37351704 |
| 3 | 5d | .199627 | 5.70170414 |
| 4 | 4d | .276670 | .06125537 |
| 5 | 3d | 1.850722 | .00212537 |
| 6 | 5d | 5.503182 | .00047819 |
| 7 | 4d | 9.468903 | .00010203 |
| ORB.ENERGY,a.u. | -.019949 | ||
| NORM | 1.000000 | < R > | 34.578913 | < R2 > | 1356.567736 | < 1/R > | .039993 | < 1/R**2 > | .003229 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.731288 | .13366580 |
| 2 | 2p | 2.547701 | .59147968 |
| 3 | 2p | 4.496073 | .30600669 |
| 4 | 2p | 10.230389 | .01865395 |
| 5 | 4p | 2.134257 | .02919320 |
| 6 | 4p | 10.401890 | .01292089 |
| 7 | 3p | 1.446375 | -.01793212 |
| 8 | 3p | 14.073798 | .00226387 |
| 9 | 5p | 1.416612 | .00214693 |
| ORB.ENERGY,a.u. | -1.382600 | ||
| NORM | 1.000000 | < R > | .875889 | < R2 > | .982053 | < 1/R > | 1.536886 | < 1/R**2 > | 3.420175 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.404415 | .30210787 |
| 2 | 2s | 3.731031 | -.78577441 |
| 3 | 3s | 2.882569 | -.34070945 |
| 4 | 4s | 13.317053 | .01545607 |
| 5 | 3s | 23.454976 | .00202112 |
| 6 | 5s | 1.841103 | -.01608068 |
| 7 | 5s | 24.662963 | .00181285 |
| 8 | 4s | 1.487813 | .01870412 |
| 9 | 3s | 1.060158 | -.00422260 |
| 10 | 2s | 50.168583 | .00004567 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860284 | < R2 > | .890295 | < 1/R > | 1.685606 | < 1/R**2 > | 11.736247 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241495 | .92189211 |
| 2 | 1s | 14.464701 | .08151501 |
| 3 | 2s | 5.558111 | .00858572 |
| 4 | 3s | 13.412402 | -.00702778 |
| 5 | 4s | 19.902814 | .00340225 |
| 6 | 5s | 31.631072 | -.00006151 |
| 7 | 5s | 3.670634 | .00023581 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620052 | < 1/R**2 > | 187.253858 |
Total Energy= -127.83812386 a.u.
Kinetic Energy= 127.83776566 a.u.
Potential Energy= -255.67588952 a.u.
Virial Ratio = -2.00000280