(1s 2 2s 2 2p 1 4d 1 ) 1 P Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1142.
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 | 4d- electron | |
| 1 | 3d | 1.378870 | 1.51276355 |
| 2 | 4d | 1.239464 | -2.00998815 |
| 3 | 3d | 4.084892 | .02826840 |
| 4 | 5d | 5.694492 | -.00852448 |
| 5 | 4d | 8.803457 | -.00103405 |
| 6 | 5d | 1.017915 | .00437863 |
| ORB.ENERGY,a.u. | -.784630 | ||
| NORM | .999999 | < R > | 4.158484 | < R2 > | 19.831003 | < 1/R > | .319836 | < 1/R**2 > | .168487 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.581163 | .87905002 |
| 2 | 2p | 5.488370 | .14376765 |
| 3 | 2p | 11.769373 | .00726326 |
| 4 | 3p | 5.396610 | -.01619356 |
| 5 | 4p | 3.042443 | .00582984 |
| 6 | 4p | 17.347928 | -.00061822 |
| 7 | 5p | 1.156103 | .00014179 |
| ORB.ENERGY,a.u. | -5.430300 | ||
| NORM | 1.000000 | < R > | .661291 | < R2 > | .532445 | < 1/R > | 1.925598 | < 1/R**2 > | 5.066792 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.897444 | .32310551 |
| 2 | 2s | 3.354454 | -.79322937 |
| 3 | 3s | 5.261614 | -.27130820 |
| 4 | 4s | 18.204957 | .00230963 |
| 5 | 5s | 10.316847 | -.01528265 |
| 6 | 5s | 3.785910 | .02212813 |
| 7 | 4s | 38.274063 | .00003887 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .739486 | < R2 > | .642076 | < 1/R > | 1.959736 | < 1/R**2 > | 15.564965 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.606837 | .00041556 |
| 2 | 1s | 9.271325 | .89165445 |
| 3 | 1s | 13.710163 | .10449999 |
| 4 | 2s | 7.485846 | .01482260 |
| 5 | 3s | 10.865015 | -.00733837 |
| 6 | 4s | 18.676399 | .00417653 |
| 7 | 5s | 10.270500 | -.00183666 |
| 8 | 5s | 37.001460 | .00007786 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156628 | < R2 > | .032936 | < 1/R > | 9.655281 | < 1/R**2 > | 188.298354 |
Total Energy= -116.71941064 a.u.
Kinetic Energy= 116.69547467 a.u.
Potential Energy= -233.41488531 a.u.
Virial Ratio = -2.00020511