(1s 2 2s 2 2p 2 3p 1 ) 2 P Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 3p | 1.521958 | -1.19582056 |
| 2 | 2p | 2.301420 | .36927861 |
| 3 | 2p | 6.354870 | .04820612 |
| 4 | 4p | 7.267577 | .01892630 |
| 5 | 5p | 8.374631 | -.00602144 |
| ORB.ENERGY,a.u. | -1.114900 | ||
| NORM | 1.000000 | < R > | 2.533105 | < R2 > | 7.175607 | < 1/R > | .476450 | < 1/R**2 > | .391391 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.307549 | .84203057 |
| 2 | 2p | 5.519168 | .17344487 |
| 3 | 2p | 11.449292 | .00875372 |
| 4 | 3p | 4.381079 | .01255601 |
| 5 | 4p | 1.808880 | -.04990679 |
| 6 | 4p | 10.169760 | .00244317 |
| 7 | 5p | 49.256356 | .00002953 |
| 8 | 5p | 1.590839 | -.00504350 |
| ORB.ENERGY,a.u. | -4.026300 | ||
| NORM | 1.000000 | < R > | .684093 | < R2 > | .571898 | < 1/R > | 1.861958 | < 1/R**2 > | 4.750558 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.203146 | .34974933 |
| 2 | 2s | 3.925144 | -.83743578 |
| 3 | 3s | 3.663449 | -.27796188 |
| 4 | 4s | 11.521731 | .01035300 |
| 5 | 3s | 12.252308 | .01170732 |
| 6 | 5s | 3.426962 | -.01361486 |
| 7 | 5s | 36.560344 | -.00005825 |
| 8 | 3s | 27.437700 | -.00022517 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .769849 | < R2 > | .699304 | < 1/R > | 1.879424 | < 1/R**2 > | 14.388558 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.706986 | .61328368 |
| 2 | 1s | 13.272534 | .30148152 |
| 3 | 1s | 5.899048 | .00712075 |
| 4 | 2s | 10.363109 | .13445183 |
| 5 | 3s | 10.789455 | -.04337435 |
| 6 | 4s | 18.445869 | .00288467 |
| 7 | 5s | 60.969609 | -.00003953 |
| 8 | 5s | 6.414126 | .00031597 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .157036 | < R2 > | .033147 | < 1/R > | 9.639587 | < 1/R**2 > | 187.828381 |
Total Energy= -121.69137204 a.u.
Kinetic Energy= 121.65826437 a.u.
Potential Energy= -243.34963641 a.u.
Virial Ratio = -2.00027214