(1s 2 2s 1 5d 1 ) 1 D Ne 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 1.566517 | 2.38209412 |
| 2 | 4d | 1.477288 | -5.85234207 |
| 3 | 5d | 1.385785 | 4.10828746 |
| 4 | 3d | 5.947655 | .00683407 |
| 5 | 4d | 1.723449 | .05415286 |
| 6 | 5d | 3.651812 | .00470886 |
| 7 | 5d | 1.139261 | -.02202001 |
| 8 | 5d | 19.732276 | -.00009826 |
| ORB.ENERGY,a.u. | -.981610 | ||
| NORM | 1.000003 | < R > | 4.913676 | < R2 > | 27.417596 | < 1/R > | .282786 | < 1/R**2 > | .162658 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.096139 | .40526814 |
| 2 | 2s | 4.160031 | -.87420060 |
| 3 | 3s | 4.815684 | -.25656372 |
| 4 | 4s | 11.881873 | .02231401 |
| 5 | 3s | 14.047937 | .00772595 |
| 6 | 5s | 7.673861 | -.00782162 |
| 7 | 5s | 23.957247 | .00072521 |
| 8 | 4s | 3.677969 | -.00572904 |
| 9 | 3s | 1.754417 | .00023969 |
| ORB.ENERGY,a.u. | -8.482700 | ||
| NORM | 1.000000 | < R > | .688642 | < R2 > | .553170 | < 1/R > | 2.121877 | < 1/R**2 > | 18.179536 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.193367 | .87415777 |
| 2 | 1s | 13.455642 | .12510219 |
| 3 | 2s | 6.446488 | .02690431 |
| 4 | 3s | 8.118514 | -.02966878 |
| 5 | 4s | 18.289001 | .00380681 |
| 6 | 5s | 10.926364 | .00405283 |
| 7 | 5s | 69.511022 | -.00001708 |
| ORB.ENERGY,a.u. | -40.403000 |
| NORM | 1.000000 | < R > | .156131 | < R2 > | .032692 | < 1/R > | 9.676355 | < 1/R**2 > | 188.957922 |
Total Energy= -103.65379061 a.u.
Kinetic Energy= 103.61260945 a.u.
Potential Energy= -207.26640006 a.u.
Virial Ratio = -2.00039745