(1s 2 2s 2 2p 1 5d 1 ) 3 D Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 1.316499 | 1.41839147 |
| 2 | 4d | 1.121546 | -3.62039732 |
| 3 | 5d | .980438 | 2.97676400 |
| 4 | 3d | 4.226846 | .02337486 |
| 5 | 4d | .671042 | -.14746393 |
| 6 | 5d | 3.812047 | .01536631 |
| 7 | 4d | 9.650537 | -.00046573 |
| 8 | 5d | .626195 | .02852204 |
| ORB.ENERGY,a.u. | -.513680 | ||
| NORM | 1.000004 | < R > | 6.693592 | < R2 > | 50.909918 | < 1/R > | .209271 | < 1/R**2 > | .092158 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.560768 | .89939255 |
| 2 | 2p | 5.765930 | .12609565 |
| 3 | 2p | 11.961470 | .00657736 |
| 4 | 3p | 4.164106 | -.01557202 |
| 5 | 4p | 2.755993 | .00303959 |
| 6 | 4p | 17.057050 | -.00066630 |
| ORB.ENERGY,a.u. | -5.578900 | ||
| NORM | 1.000000 | < R > | .662562 | < R2 > | .534519 | < 1/R > | 1.922235 | < 1/R**2 > | 5.050548 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.870280 | .32483177 |
| 2 | 2s | 3.387933 | -.79199320 |
| 3 | 3s | 5.256880 | -.27243834 |
| 4 | 4s | 16.863853 | .00337253 |
| 5 | 5s | 10.422612 | -.01179070 |
| 6 | 5s | 3.579722 | .01901893 |
| 7 | 4s | 30.981467 | .00014809 |
| 8 | 4s | 2.712373 | -.00354289 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .738877 | < R2 > | .640887 | < 1/R > | 1.961240 | < 1/R**2 > | 15.586778 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.269808 | .89190507 |
| 2 | 1s | 13.722236 | .10439874 |
| 3 | 1s | 2.343375 | .00011806 |
| 4 | 2s | 7.504097 | .01489013 |
| 5 | 3s | 9.788137 | -.00794177 |
| 6 | 4s | 18.114985 | .00341738 |
| 7 | 5s | 9.614436 | -.00044871 |
| 8 | 5s | 29.557354 | .00029616 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156626 | < R2 > | .032935 | < 1/R > | 9.655351 | < 1/R**2 > | 188.300440 |
Total Energy= -116.42621236 a.u.
Kinetic Energy= 116.42453042 a.u.
Potential Energy= -232.85074278 a.u.
Virial Ratio = -2.00001445