(1s 2 2s 2 2p 1 4p 1 ) 3 D Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3241.
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 | 3.757498 | .29829889 |
| 2 | 3p | 1.385602 | -2.66221383 |
| 3 | 4p | 1.374517 | 2.94924726 |
| 4 | 5p | 5.097547 | .03104639 |
| 5 | 2p | 12.034882 | .00227506 |
| 6 | 5p | 3.893453 | .07172691 |
| 7 | 2p | .888836 | .06609087 |
| ORB.ENERGY,a.u. | -.900490 | ||
| NORM | 1.000001 | < R > | 3.995327 | < R2 > | 18.036897 | < 1/R > | .350805 | < 1/R**2 > | .348116 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.584682 | .86519893 |
| 2 | 2p | 5.464946 | .14496164 |
| 3 | 2p | 11.339407 | .00863187 |
| 4 | 3p | 5.152173 | -.00924075 |
| 5 | 4p | 3.515426 | .01176199 |
| 6 | 4p | 18.133433 | -.00064990 |
| ORB.ENERGY,a.u. | -4.446200 | ||
| NORM | 1.000000 | < R > | .661720 | < R2 > | .533219 | < 1/R > | 1.924746 | < 1/R**2 > | 5.063318 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.898619 | .32286766 |
| 2 | 2s | 3.352358 | -.79341544 |
| 3 | 3s | 5.250071 | -.27106741 |
| 4 | 4s | 18.424719 | .00218018 |
| 5 | 5s | 10.300506 | -.01569175 |
| 6 | 5s | 3.823045 | .02267482 |
| 7 | 4s | 40.638366 | .00002931 |
| 8 | 4s | 1.471270 | .00036071 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .739799 | < R2 > | .642591 | < 1/R > | 1.958730 | < 1/R**2 > | 15.549826 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.300970 | .00003661 |
| 2 | 1s | 9.269618 | .89189005 |
| 3 | 1s | 13.712873 | .10447055 |
| 4 | 2s | 7.402380 | .01511353 |
| 5 | 3s | 10.891618 | -.00732075 |
| 6 | 4s | 18.665485 | .00415034 |
| 7 | 5s | 10.315927 | -.00191028 |
| 8 | 5s | 36.666820 | .00008236 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156653 | < R2 > | .032948 | < 1/R > | 9.654252 | < 1/R**2 > | 188.266719 |
Total Energy= -116.80027095 a.u.
Kinetic Energy= 116.81114589 a.u.
Potential Energy= -233.61141684 a.u.
Virial Ratio = -1.99990690