(1s 2 2s 2 2p 1 5d 1 ) 3 P Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3152.
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 | 1.339392 | 1.45931760 |
| 2 | 4d | 1.127754 | -3.49645002 |
| 3 | 5d | .972951 | 2.89974314 |
| 4 | 3d | 4.411914 | .02087540 |
| 5 | 4d | .702198 | -.16663876 |
| 6 | 5d | 2.515551 | -.04530802 |
| 7 | 4d | 10.327670 | -.00044184 |
| 8 | 5d | .593306 | .01303409 |
| ORB.ENERGY,a.u. | -.511870 | ||
| NORM | 1.000000 | < R > | 6.710335 | < R2 > | 51.191167 | < 1/R > | .209476 | < 1/R**2 > | .093258 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.577041 | .86607350 |
| 2 | 2p | 5.471123 | .14520156 |
| 3 | 2p | 11.321466 | .00856561 |
| 4 | 3p | 5.188576 | -.01033222 |
| 5 | 4p | 3.664286 | .01155712 |
| 6 | 4p | 18.177909 | -.00067867 |
| ORB.ENERGY,a.u. | -5.577100 | ||
| NORM | 1.000000 | < R > | .662743 | < R2 > | .534790 | < 1/R > | 1.921803 | < 1/R**2 > | 5.048705 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.870231 | .32483155 |
| 2 | 2s | 3.388011 | -.79197255 |
| 3 | 3s | 5.256781 | -.27244581 |
| 4 | 4s | 16.859656 | .00337415 |
| 5 | 5s | 10.424214 | -.01178642 |
| 6 | 5s | 3.578886 | .01897624 |
| 7 | 4s | 30.960976 | .00014858 |
| 8 | 4s | 2.711263 | -.00352980 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .738883 | < R2 > | .640898 | < 1/R > | 1.961224 | < 1/R**2 > | 15.586520 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.602858 | .00041904 |
| 2 | 1s | 9.271190 | .89165570 |
| 3 | 1s | 13.711935 | .10449353 |
| 4 | 2s | 7.510359 | .01480242 |
| 5 | 3s | 10.893653 | -.00731831 |
| 6 | 4s | 18.688039 | .00417061 |
| 7 | 5s | 10.322858 | -.00183057 |
| 8 | 5s | 37.048686 | .00007700 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156626 | < R2 > | .032935 | < 1/R > | 9.655358 | < 1/R**2 > | 188.300620 |
Total Energy= -116.42623587 a.u.
Kinetic Energy= 116.42271633 a.u.
Potential Energy= -232.84895220 a.u.
Virial Ratio = -2.00003023