(1s 2 2s 2 2p 1 3p 1 ) 1 S Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 3p- electron | |
| 1 | 2p | 2.519403 | .36392800 |
| 2 | 3p | 1.850198 | -1.23726718 |
| 3 | 2p | 8.171884 | .00906738 |
| 4 | 4p | 4.871793 | .01674898 |
| 5 | 5p | 7.425884 | -.01423376 |
| ORB.ENERGY,a.u. | -1.652000 | ||
| NORM | 1.000000 | < R > | 2.114371 | < R2 > | 4.954182 | < 1/R > | .535577 | < 1/R**2 > | .366501 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.708804 | .74521184 |
| 2 | 2p | 4.211442 | .35479441 |
| 3 | 2p | 13.471472 | .00732757 |
| 4 | 3p | 1.836500 | -.25373536 |
| 5 | 4p | 3.321130 | .04863808 |
| 6 | 4p | 7.134687 | -.04424722 |
| 7 | 3p | 17.415372 | .00073756 |
| ORB.ENERGY,a.u. | -1.652000 | ||
| NORM | 1.000000 | < R > | .635351 | < R2 > | .547204 | < 1/R > | 2.035077 | < 1/R**2 > | 5.588298 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.834513 | .32528646 |
| 2 | 2s | 3.406493 | -.80235248 |
| 3 | 3s | 5.075330 | -.28170380 |
| 4 | 4s | 17.479376 | .00336793 |
| 5 | 5s | 9.571578 | -.01514864 |
| 6 | 5s | 7.323942 | .01462046 |
| 7 | 4s | 35.599941 | .00008336 |
| 8 | 4s | 3.942864 | .02204551 |
| 9 | 3s | 1.214847 | -.00020386 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .742472 | < R2 > | .647836 | < 1/R > | 1.952051 | < 1/R**2 > | 15.453209 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 1.568633 | -.00006137 |
| 2 | 1s | 9.269395 | .89188076 |
| 3 | 1s | 13.710457 | .10443196 |
| 4 | 2s | 7.256672 | .01554067 |
| 5 | 3s | 10.878407 | -.00734269 |
| 6 | 4s | 18.682760 | .00414699 |
| 7 | 5s | 10.145477 | -.00212962 |
| 8 | 5s | 36.836368 | .00007871 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156695 | < R2 > | .032969 | < 1/R > | 9.652550 | < 1/R**2 > | 188.214984 |
Total Energy= -117.60960789 a.u.
Kinetic Energy= 117.56236973 a.u.
Potential Energy= -235.17197763 a.u.
Virial Ratio = -2.00040181