(1s 2 2s 2 2p 2 3d 1 ) 2 P Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2132.
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 | 1.412977 | .94171073 |
| 2 | 5d | 12.039736 | -.00026843 |
| 3 | 3d | 4.159905 | .03408915 |
| 4 | 4d | 3.023444 | .03992709 |
| 5 | 5d | 1.377974 | .01727899 |
| ORB.ENERGY,a.u. | -.936910 | ||
| NORM | 1.000000 | < R > | 2.421008 | < R2 > | 6.780621 | < 1/R > | .491051 | < 1/R**2 > | .298151 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.228771 | .82552715 |
| 2 | 2p | 5.353276 | .20108309 |
| 3 | 2p | 11.421274 | .00819839 |
| 4 | 3p | 1.669377 | .02006906 |
| 5 | 4p | 3.697463 | -.01669876 |
| 6 | 5p | 23.646120 | -.00026532 |
| 7 | 5p | 2.079605 | -.01115147 |
| 8 | 4p | 95.669915 | .00000185 |
| ORB.ENERGY,a.u. | -4.086600 | ||
| NORM | 1.000000 | < R > | .702909 | < R2 > | .606574 | < 1/R > | 1.828637 | < 1/R**2 > | 4.617265 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.184966 | .35145944 |
| 2 | 2s | 3.943353 | -.83733608 |
| 3 | 3s | 3.680336 | -.27717061 |
| 4 | 4s | 11.308975 | .00998105 |
| 5 | 3s | 12.028650 | .01295035 |
| 6 | 5s | 3.569353 | -.01782299 |
| 7 | 5s | 34.484640 | -.00010061 |
| 8 | 3s | 28.069780 | -.00023222 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .769037 | < R2 > | .697977 | < 1/R > | 1.882081 | < 1/R**2 > | 14.428823 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.805028 | .01868445 |
| 2 | 1s | 8.708054 | .60553680 |
| 3 | 1s | 13.272379 | .29766645 |
| 4 | 2s | 10.338487 | .13272626 |
| 5 | 3s | 10.919046 | -.04247331 |
| 6 | 4s | 18.706627 | .00351348 |
| 7 | 5s | 6.683886 | .00061621 |
| 8 | 2s | 67.684423 | .00000447 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .156986 | < R2 > | .033122 | < 1/R > | 9.641578 | < 1/R**2 > | 187.888728 |
Total Energy= -121.47288888 a.u.
Kinetic Energy= 121.48055754 a.u.
Potential Energy= -242.95344642 a.u.
Virial Ratio = -1.99993687