(1s 2 2s 2 2p 1 4p 1 ) 1 S Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1041.
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 | 2.397640 | .34283867 |
| 2 | 3p | 1.337961 | -2.84734665 |
| 3 | 4p | 1.334437 | 3.00915987 |
| 4 | 5p | 7.068292 | -.01191137 |
| 5 | 2p | 7.852480 | .01040404 |
| 6 | 5p | 1.670198 | .13273267 |
| ORB.ENERGY,a.u. | -.871640 | ||
| NORM | .999999 | < R > | 4.108274 | < R2 > | 18.998676 | < 1/R > | .308617 | < 1/R**2 > | .174435 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.758297 | .90080618 |
| 2 | 2p | 7.794080 | .06545160 |
| 3 | 3p | 1.716389 | -.11218881 |
| 4 | 5p | 1.403074 | .06633167 |
| 5 | 5p | 8.319770 | .02305828 |
| 6 | 5p | 12.194106 | .00595497 |
| 7 | 4p | 4.052054 | .06122056 |
| 8 | 4p | 1.300407 | .07147627 |
| 9 | 4p | 10.509572 | .00692579 |
| ORB.ENERGY,a.u. | -4.417300 | ||
| NORM | 1.000000 | < R > | .667556 | < R2 > | .645425 | < 1/R > | 1.959271 | < 1/R**2 > | 5.231211 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.890148 | .32336627 |
| 2 | 2s | 3.362835 | -.79293120 |
| 3 | 3s | 5.245922 | -.27152123 |
| 4 | 4s | 17.971667 | .00246719 |
| 5 | 5s | 10.322376 | -.01459105 |
| 6 | 5s | 3.802828 | .02061136 |
| 7 | 4s | 36.306863 | .00005160 |
| 8 | 4s | 1.318769 | .00027908 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .739712 | < R2 > | .642425 | < 1/R > | 1.958955 | < 1/R**2 > | 15.553227 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.935898 | .00023598 |
| 2 | 1s | 9.269622 | .89180719 |
| 3 | 1s | 13.716860 | .10443709 |
| 4 | 2s | 7.457011 | .01500849 |
| 5 | 3s | 10.938372 | -.00730412 |
| 6 | 4s | 18.691953 | .00413671 |
| 7 | 5s | 10.374561 | -.00189740 |
| 8 | 5s | 36.756723 | .00007926 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156653 | < R2 > | .032948 | < 1/R > | 9.654250 | < 1/R**2 > | 188.266735 |
Total Energy= -116.80597282 a.u.
Kinetic Energy= 116.78230466 a.u.
Potential Energy= -233.58827748 a.u.
Virial Ratio = -2.00020267