(1s 2 2s 2 2p 5 5p 1 ) 3 D Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3251.
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 | 5p- electron | |
| 1 | 2p | 2.276689 | .02755205 |
| 2 | 3p | .672658 | -.34357869 |
| 3 | 4p | .312558 | 1.56728699 |
| 4 | 5p | .246805 | -1.77792864 |
| 5 | 2p | 4.914226 | .01744643 |
| 6 | 5p | 5.773009 | .00222492 |
| 7 | 5p | .643891 | -.16018819 |
| 8 | 3p | 9.372014 | -.00076167 |
| ORB.ENERGY,a.u. | -.028732 | ||
| NORM | 1.000000 | < R > | 25.190473 | < R2 > | 716.180486 | < 1/R > | .055593 | < 1/R**2 > | .011255 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.697016 | .13313491 |
| 2 | 2p | 2.559961 | .59509293 |
| 3 | 2p | 4.497021 | .30273854 |
| 4 | 2p | 10.258156 | .01866642 |
| 5 | 4p | 2.279433 | .03163165 |
| 6 | 4p | 10.384815 | .01331100 |
| 7 | 3p | 1.660601 | -.01860851 |
| 8 | 3p | 13.970465 | .00242713 |
| ORB.ENERGY,a.u. | -1.367700 | ||
| NORM | 1.000000 | < R > | .876013 | < R2 > | .982411 | < 1/R > | 1.536752 | < 1/R**2 > | 3.419700 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.487590 | .29766500 |
| 2 | 2s | 3.739180 | -.78200867 |
| 3 | 3s | 2.890557 | -.34448796 |
| 4 | 4s | 13.019603 | .01820248 |
| 5 | 3s | 20.991458 | .00435417 |
| 6 | 5s | 1.927674 | -.02097566 |
| 7 | 5s | 22.540488 | .00227707 |
| 8 | 4s | 1.583008 | .02743219 |
| 9 | 3s | 1.210912 | -.00832192 |
| 10 | 2s | 36.830446 | .00022669 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860334 | < R2 > | .890417 | < 1/R > | 1.685523 | < 1/R**2 > | 11.735187 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.243038 | .92163112 |
| 2 | 1s | 14.454813 | .08161293 |
| 3 | 2s | 5.573325 | .00866166 |
| 4 | 3s | 13.464277 | -.00696860 |
| 5 | 4s | 19.911074 | .00348521 |
| 6 | 5s | 30.034807 | -.00007993 |
| 7 | 5s | 3.690586 | .00023933 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620042 | < 1/R**2 > | 187.253524 |
Total Energy= -127.84632735 a.u.
Kinetic Energy= 127.84655071 a.u.
Potential Energy= -255.69287806 a.u.
Virial Ratio = -1.99999825