(1s 2 2s 2 2p 1 3d 1 ) 3 F Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3332.
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 | 1.783238 | .88611617 |
| 2 | 4d | 9.944923 | -.00084490 |
| 3 | 3d | 3.879424 | .08115149 |
| 4 | 4d | 1.661754 | .03890963 |
| 5 | 5d | 3.577730 | .03106408 |
| ORB.ENERGY,a.u. | -1.476900 | ||
| NORM | 1.000000 | < R > | 1.898448 | < R2 > | 4.180366 | < 1/R > | .627591 | < 1/R**2 > | .486918 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.507861 | .84925317 |
| 2 | 2p | 5.338866 | .16987650 |
| 3 | 2p | 11.530786 | .00803558 |
| 4 | 3p | 4.968286 | -.01789030 |
| 5 | 4p | 2.813982 | .01840111 |
| 6 | 4p | 17.729918 | -.00058623 |
| ORB.ENERGY,a.u. | -5.210000 | ||
| NORM | 1.000000 | < R > | .672905 | < R2 > | .554301 | < 1/R > | 1.901206 | < 1/R**2 > | 4.958795 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.813063 | .32677125 |
| 2 | 2s | 3.440395 | -.79766194 |
| 3 | 3s | 5.094124 | -.27744248 |
| 4 | 4s | 17.262768 | .00378032 |
| 5 | 5s | 9.606130 | -.01283268 |
| 6 | 5s | 6.861540 | .01622918 |
| 7 | 4s | 35.523241 | .00010356 |
| 8 | 4s | 3.776833 | .00550409 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .742085 | < R2 > | .647342 | < 1/R > | 1.953678 | < 1/R**2 > | 15.477819 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.269854 | .89210088 |
| 2 | 1s | 13.729629 | .10422596 |
| 3 | 1s | 2.376777 | .00015700 |
| 4 | 2s | 7.591105 | .01467656 |
| 5 | 3s | 9.842624 | -.00792033 |
| 6 | 4s | 18.050435 | .00343238 |
| 7 | 5s | 9.894614 | -.00033669 |
| 8 | 5s | 29.611040 | .00030829 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156616 | < R2 > | .032930 | < 1/R > | 9.655812 | < 1/R**2 > | 188.314942 |
Total Energy= -117.35872868 a.u.
Kinetic Energy= 117.38786091 a.u.
Potential Energy= -234.74658959 a.u.
Virial Ratio = -1.99975183