(1s 2 2s 2 2p 1 3d 1 ) 3 P Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3132.
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 | 1.734842 | .92129702 |
| 2 | 3d | 4.058554 | .05373095 |
| 3 | 4d | 1.633079 | .03468337 |
| 4 | 5d | 3.699727 | .01959699 |
| 5 | 4d | 9.601138 | -.00086255 |
| ORB.ENERGY,a.u. | -1.431500 | ||
| NORM | 1.000000 | < R > | 1.978876 | < R2 > | 4.524175 | < 1/R > | .599254 | < 1/R**2 > | .441664 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.557811 | .85526623 |
| 2 | 2p | 5.384879 | .15794326 |
| 3 | 2p | 11.465078 | .00824134 |
| 4 | 3p | 5.221905 | -.01307197 |
| 5 | 4p | 3.118021 | .01598353 |
| 6 | 4p | 17.943119 | -.00060911 |
| ORB.ENERGY,a.u. | -5.164700 | ||
| NORM | 1.000000 | < R > | .666272 | < R2 > | .541876 | < 1/R > | 1.915440 | < 1/R**2 > | 5.022694 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.902113 | .32202073 |
| 2 | 2s | 3.349059 | -.79079700 |
| 3 | 3s | 5.288350 | -.27026034 |
| 4 | 4s | 18.051705 | .00245859 |
| 5 | 5s | 10.279526 | -.01469948 |
| 6 | 5s | 3.763296 | .02393882 |
| 7 | 4s | 37.465118 | .00004608 |
| 8 | 4s | 3.096671 | -.00758731 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .741732 | < R2 > | .646633 | < 1/R > | 1.954516 | < 1/R**2 > | 15.490226 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.592664 | .00047323 |
| 2 | 1s | 9.271755 | .89159907 |
| 3 | 1s | 13.709062 | .10451547 |
| 4 | 2s | 7.500513 | .01478149 |
| 5 | 3s | 10.850831 | -.00734229 |
| 6 | 4s | 18.668785 | .00417901 |
| 7 | 5s | 10.263288 | -.00181454 |
| 8 | 5s | 36.964264 | .00007824 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156623 | < R2 > | .032934 | < 1/R > | 9.655517 | < 1/R**2 > | 188.305808 |
Total Energy= -117.36138366 a.u.
Kinetic Energy= 117.34244124 a.u.
Potential Energy= -234.70382490 a.u.
Virial Ratio = -2.00016143