(1s 2 2s 2 2p 2 3d 1 ) 4 D Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4232.
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 | 1.403835 | .91946423 |
| 2 | 5d | 7.045536 | .00037376 |
| 3 | 4d | 24.879655 | .00002651 |
| 4 | 3d | 3.751793 | .05947645 |
| 5 | 4d | 2.788484 | .04745824 |
| 6 | 5d | 1.395014 | .01555661 |
| ORB.ENERGY,a.u. | -.931600 | ||
| NORM | 1.000000 | < R > | 2.398907 | < R2 > | 6.687988 | < 1/R > | .499142 | < 1/R**2 > | .311324 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.322375 | .80152630 |
| 2 | 2p | 5.281415 | .18587590 |
| 3 | 2p | 9.767903 | .01456186 |
| 4 | 3p | 2.360178 | .04176263 |
| 5 | 4p | 2.020220 | -.01365923 |
| 6 | 5p | 18.563469 | -.00075509 |
| 7 | 5p | 2.040245 | .00624882 |
| 8 | 4p | 49.866201 | .00001693 |
| 9 | 3p | 14.695544 | -.00126279 |
| ORB.ENERGY,a.u. | -4.081300 | ||
| NORM | 1.000000 | < R > | .705062 | < R2 > | .611383 | < 1/R > | 1.825401 | < 1/R**2 > | 4.604956 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.184395 | .35147469 |
| 2 | 2s | 3.947452 | -.83936093 |
| 3 | 3s | 3.653107 | -.27866607 |
| 4 | 4s | 11.677751 | .01547491 |
| 5 | 3s | 13.887787 | .00892411 |
| 6 | 5s | 3.519037 | -.01497353 |
| 7 | 5s | 35.606530 | -.00034529 |
| 8 | 4s | 52.605709 | -.00008826 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .769131 | < R2 > | .698189 | < 1/R > | 1.881910 | < 1/R**2 > | 14.426515 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.709930 | .61349688 |
| 2 | 1s | 13.271569 | .30150556 |
| 3 | 1s | 5.725208 | .00692457 |
| 4 | 2s | 10.367225 | .13444420 |
| 5 | 3s | 10.765006 | -.04345769 |
| 6 | 4s | 18.400128 | .00288475 |
| 7 | 5s | 61.017689 | -.00004031 |
| 8 | 5s | 5.630435 | .00025741 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .156983 | < R2 > | .033121 | < 1/R > | 9.641680 | < 1/R**2 > | 187.891879 |
Total Energy= -121.47199885 a.u.
Kinetic Energy= 121.47523428 a.u.
Potential Energy= -242.94723313 a.u.
Virial Ratio = -1.99997337