(1s 2 2s 2 2p 1 5s 1 ) 3 P Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3150.
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 | 5s- electron | |
| 1 | 1s | 8.274025 | .06379096 |
| 2 | 2s | 2.167589 | -.65169004 |
| 3 | 3s | 2.126257 | 1.07016455 |
| 4 | 5s | 1.443131 | -3.77052104 |
| 5 | 4s | .971987 | 3.71139781 |
| 6 | 4s | 7.535885 | -.02183277 |
| 7 | 5s | 5.170065 | -.01557527 |
| 8 | 3s | .376842 | -.08453024 |
| 9 | 3s | 28.821937 | -.00005718 |
| 10 | 5s | .461815 | .04764454 |
| ORB.ENERGY,a.u. | -.595410 | ||
| NORM | 1.000000 | < R > | 6.318967 | < R2 > | 44.675576 | < 1/R > | .226849 | < 1/R**2 > | .506008 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.577564 | .86710925 |
| 2 | 2p | 5.470192 | .14443790 |
| 3 | 2p | 11.374219 | .00850497 |
| 4 | 3p | 5.209612 | -.00999864 |
| 5 | 4p | 3.604521 | .01084009 |
| 6 | 4p | 18.092496 | -.00063666 |
| ORB.ENERGY,a.u. | -5.582800 | ||
| NORM | 1.000000 | < R > | .662682 | < R2 > | .534659 | < 1/R > | 1.921793 | < 1/R**2 > | 5.048091 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.811519 | .32818347 |
| 2 | 2s | 3.495126 | -.77310830 |
| 3 | 3s | 4.959924 | -.27001732 |
| 4 | 4s | 10.619260 | -.00414115 |
| 5 | 5s | 9.921248 | -.02186130 |
| 6 | 5s | 1.757546 | .00198595 |
| 7 | 4s | 18.508680 | .00183945 |
| 8 | 4s | .691954 | -.00402184 |
| 9 | 3s | .495737 | .00217696 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .738720 | < R2 > | .640655 | < 1/R > | 1.961739 | < 1/R**2 > | 15.594984 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.269696 | .89212958 |
| 2 | 1s | 13.734999 | .10411585 |
| 3 | 1s | 2.546439 | .00025984 |
| 4 | 2s | 7.602357 | .01472841 |
| 5 | 3s | 9.856060 | -.00790715 |
| 6 | 4s | 18.124016 | .00340080 |
| 7 | 5s | 9.360703 | -.00037526 |
| 8 | 5s | 29.432216 | .00030010 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156629 | < R2 > | .032936 | < 1/R > | 9.655216 | < 1/R**2 > | 188.295705 |
Total Energy= -116.50463569 a.u.
Kinetic Energy= 116.50593790 a.u.
Potential Energy= -233.01057359 a.u.
Virial Ratio = -1.99998882