(1s 2 2s 2 2p 3 3d 1 ) 3 D Ne 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 1.022471 | .97429927 |
| 2 | 5d | 1.060241 | .02057020 |
| 3 | 3d | 4.089190 | .01277746 |
| 4 | 4d | 2.787049 | .01033110 |
| 5 | 5d | 10.459312 | -.00014859 |
| ORB.ENERGY,a.u. | -.505650 | ||
| NORM | 1.000000 | < R > | 3.425795 | < R2 > | 13.474835 | < 1/R > | .343519 | < 1/R**2 > | .144113 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.998372 | .76173489 |
| 2 | 2p | 4.915070 | .24848638 |
| 3 | 2p | 9.954460 | .01656875 |
| 4 | 3p | 1.568318 | -.00205744 |
| 5 | 4p | 2.595935 | .01113873 |
| 6 | 5p | 12.557812 | .00272013 |
| 7 | 5p | 2.507642 | .00109562 |
| ORB.ENERGY,a.u. | -3.115800 | ||
| NORM | 1.000000 | < R > | .742868 | < R2 > | .682231 | < 1/R > | 1.744940 | < 1/R**2 > | 4.245357 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.171129 | .33889963 |
| 2 | 2s | 3.916051 | -.82565246 |
| 3 | 3s | 3.250028 | -.28368559 |
| 4 | 4s | 11.577713 | .01721699 |
| 5 | 3s | 14.462658 | .00596677 |
| 6 | 5s | 20.959127 | .00119690 |
| 7 | 5s | 5.249025 | -.02396377 |
| 8 | 4s | 7.194747 | -.00452661 |
| 9 | 3s | 1.346314 | -.00041723 |
| 10 | 3s | 35.983351 | -.00006216 |
| ORB.ENERGY,a.u. | -3.109400 | ||
| NORM | 1.000000 | < R > | .798123 | < R2 > | .755393 | < 1/R > | 1.811725 | < 1/R**2 > | 13.428689 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.064445 | .86797607 |
| 2 | 1s | 13.147143 | .14128125 |
| 3 | 1s | 2.295764 | -.00288659 |
| 4 | 3s | 6.290495 | .00632783 |
| 5 | 4s | 19.653000 | .00295007 |
| 6 | 2s | 8.158613 | -.00822120 |
| 7 | 3s | 24.858406 | -.00012365 |
| 8 | 5s | 4.175231 | .00094784 |
| ORB.ENERGY,a.u. | -33.976000 |
| NORM | 1.000000 | < R > | .157274 | < R2 > | .033274 | < 1/R > | 9.630756 | < 1/R**2 > | 187.567162 |
Total Energy= -124.62152297 a.u.
Kinetic Energy= 124.60987910 a.u.
Potential Energy= -249.23140206 a.u.
Virial Ratio = -2.00009344