(1s 2 2s 2 2p 1 3s 1 ) 3 P Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3130.
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 | 3s- electron | |
| 1 | 1s | 8.327210 | .15301834 |
| 2 | 2s | 2.873851 | -.76104885 |
| 3 | 3s | 1.994079 | 1.36602126 |
| 4 | 4s | 6.569833 | -.04684941 |
| 5 | 5s | 11.374610 | -.00812244 |
| 6 | 3s | 31.038413 | -.00003118 |
| ORB.ENERGY,a.u. | -1.901100 | ||
| NORM | 1.000000 | < R > | 2.002374 | < R2 > | 4.542342 | < 1/R > | .702142 | < 1/R**2 > | 2.942904 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.556633 | .85943557 |
| 2 | 2p | 5.471690 | .14499820 |
| 3 | 2p | 11.244375 | .00924443 |
| 4 | 3p | 4.019046 | -.00403900 |
| 5 | 4p | 3.065841 | .01465621 |
| 6 | 4p | 18.195708 | -.00057889 |
| ORB.ENERGY,a.u. | -5.215400 | ||
| NORM | 1.000000 | < R > | .666645 | < R2 > | .542136 | < 1/R > | 1.913095 | < 1/R**2 > | 5.007620 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.822091 | .32615428 |
| 2 | 2s | 3.459118 | -.78352760 |
| 3 | 3s | 5.174037 | -.27087981 |
| 4 | 4s | 18.897591 | .00138383 |
| 5 | 5s | 10.732744 | -.01514587 |
| 6 | 5s | 4.986307 | -.00261895 |
| 7 | 4s | 2.127345 | -.00712505 |
| 8 | 3s | 8.384569 | .00822160 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .743266 | < R2 > | .650426 | < 1/R > | 1.952334 | < 1/R**2 > | 15.466608 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.269302 | .89268252 |
| 2 | 1s | 13.772034 | .10340719 |
| 3 | 1s | .476824 | .00057643 |
| 4 | 2s | 7.903333 | .01456332 |
| 5 | 3s | 10.053664 | -.00765416 |
| 6 | 4s | 18.189355 | .00332515 |
| 7 | 5s | 1.169463 | -.00034549 |
| 8 | 5s | 29.108629 | .00030006 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156636 | < R2 > | .032940 | < 1/R > | 9.654782 | < 1/R**2 > | 188.279875 |
Total Energy= -117.80092926 a.u.
Kinetic Energy= 117.81017066 a.u.
Potential Energy= -235.61109992 a.u.
Virial Ratio = -1.99992156