(1s 2 2s 2 2p 2 4p 1 ) 2 S Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2041.
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 | 4p- electron | |
| 1 | 2p | 4.078658 | .19861808 |
| 2 | 3p | 1.145904 | -.85026758 |
| 3 | 4p | 1.123390 | 1.97921167 |
| 4 | 5p | 2.929322 | -.23188401 |
| 5 | 2p | 10.735719 | .00258247 |
| 6 | 5p | 1.984995 | -.48172031 |
| 7 | 5p | 26.499056 | -.00007073 |
| ORB.ENERGY,a.u. | -.617140 | ||
| NORM | 1.000002 | < R > | 4.666137 | < R2 > | 24.599007 | < 1/R > | .298912 | < 1/R**2 > | .259450 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.253634 | .81099020 |
| 2 | 2p | 5.243604 | .20336071 |
| 3 | 2p | 11.017265 | .01047425 |
| 4 | 3p | 1.886345 | .00798783 |
| 5 | 4p | 3.492083 | -.00361920 |
| 6 | 5p | 12.959797 | .00142085 |
| 7 | 5p | 51.462579 | .00001456 |
| 8 | 5p | 1.901672 | -.00273922 |
| ORB.ENERGY,a.u. | -4.343400 | ||
| NORM | 1.000000 | < R > | .700743 | < R2 > | .602100 | < 1/R > | 1.832447 | < 1/R**2 > | 4.632856 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.193281 | .35122186 |
| 2 | 2s | 3.932826 | -.84268434 |
| 3 | 3s | 3.642000 | -.27945471 |
| 4 | 4s | 11.369411 | .01117381 |
| 5 | 3s | 12.311685 | .01221829 |
| 6 | 5s | 3.318385 | -.01980062 |
| 7 | 5s | 38.279872 | -.00021148 |
| 8 | 4s | 2.720214 | .01211653 |
| 9 | 4s | 56.973757 | -.00005135 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .767964 | < R2 > | .695483 | < 1/R > | 1.883890 | < 1/R**2 > | 14.451954 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.708750 | .61337067 |
| 2 | 1s | 13.272145 | .30147808 |
| 3 | 1s | 5.822105 | .00702987 |
| 4 | 2s | 10.365941 | .13444109 |
| 5 | 3s | 10.779845 | -.04338496 |
| 6 | 4s | 18.426272 | .00289859 |
| 7 | 5s | 61.066671 | -.00003945 |
| 8 | 5s | 5.965060 | .00027418 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .157008 | < R2 > | .033133 | < 1/R > | 9.640652 | < 1/R**2 > | 187.860436 |
Total Energy= -121.14285232 a.u.
Kinetic Energy= 121.16060880 a.u.
Potential Energy= -242.30346113 a.u.
Virial Ratio = -1.99985345