(1s 2 2s 2 2p 5 4p 1 ) 1 D Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1241.
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 | 2.903223 | .05792073 |
| 2 | 3p | .547356 | -.63530416 |
| 3 | 4p | .330339 | 1.19593520 |
| 4 | 5p | 1.453494 | -.04175801 |
| 5 | 2p | 7.369094 | .00471544 |
| 6 | 5p | 5.707473 | -.00679121 |
| ORB.ENERGY,a.u. | -.049304 | ||
| NORM | .999999 | < R > | 14.334347 | < R2 > | 233.925776 | < 1/R > | .093368 | < 1/R**2 > | .022596 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.723257 | .12740632 |
| 2 | 2p | 2.646411 | .62206342 |
| 3 | 2p | 4.581460 | .26144466 |
| 4 | 2p | 8.672912 | .03020131 |
| 5 | 4p | 2.353120 | .07237258 |
| 6 | 4p | 9.135393 | .01071468 |
| 7 | 3p | 1.839237 | -.04279902 |
| 8 | 5p | .318088 | .00095858 |
| 9 | 5p | 53.190369 | .00001498 |
| ORB.ENERGY,a.u. | -1.314500 | ||
| NORM | 1.000000 | < R > | .875936 | < R2 > | .982316 | < 1/R > | 1.536772 | < 1/R**2 > | 3.419682 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.409913 | .30177637 |
| 2 | 2s | 3.729083 | -.78616003 |
| 3 | 3s | 2.881490 | -.34001935 |
| 4 | 4s | 13.328642 | .01557972 |
| 5 | 3s | 23.522341 | .00207571 |
| 6 | 5s | 1.833981 | -.01472033 |
| 7 | 5s | 24.671417 | .00184472 |
| 8 | 4s | 1.475739 | .01656811 |
| 9 | 3s | 1.039965 | -.00358186 |
| 10 | 2s | 49.477268 | .00005043 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860399 | < R2 > | .890571 | < 1/R > | 1.685407 | < 1/R**2 > | 11.733694 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241474 | .92189789 |
| 2 | 1s | 14.464548 | .08151367 |
| 3 | 2s | 5.553884 | .00857630 |
| 4 | 3s | 13.425403 | -.00702306 |
| 5 | 4s | 19.918549 | .00340911 |
| 6 | 5s | 31.512285 | -.00006490 |
| 7 | 5s | 3.663018 | .00023371 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620028 | < 1/R**2 > | 187.253133 |
Total Energy= -127.86721803 a.u.
Kinetic Energy= 127.86713036 a.u.
Potential Energy= -255.73434839 a.u.
Virial Ratio = -2.00000069