(1s 2 2s 2 2p 2 5p 1 ) 2 S Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2051.
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 | 2.517997 | .16834224 |
| 2 | 3p | 1.331749 | -1.25667360 |
| 3 | 4p | .886089 | 4.97902676 |
| 4 | 5p | .884015 | -4.62054309 |
| 5 | 2p | 5.134030 | .06059657 |
| 6 | 5p | 6.095415 | .00428801 |
| 7 | 3p | 9.892979 | -.00255754 |
| 8 | 3p | .301323 | -.00061897 |
| ORB.ENERGY,a.u. | -.376610 | ||
| NORM | 1.000004 | < R > | 7.758820 | < R2 > | 67.639943 | < 1/R > | .183680 | < 1/R**2 > | .123731 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.262515 | .83325079 |
| 2 | 2p | 5.416809 | .19009342 |
| 3 | 2p | 11.605979 | .00766257 |
| 4 | 3p | 1.538006 | .01401170 |
| 5 | 4p | 3.737478 | -.00962241 |
| 6 | 5p | 23.266604 | -.00024009 |
| 7 | 5p | 1.971265 | -.00922567 |
| 8 | 4p | 79.016451 | .00000182 |
| ORB.ENERGY,a.u. | -4.448500 | ||
| NORM | 1.000000 | < R > | .700152 | < R2 > | .600935 | < 1/R > | 1.833585 | < 1/R**2 > | 4.637728 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.190654 | .35170039 |
| 2 | 2s | 3.935701 | -.84340371 |
| 3 | 3s | 3.645465 | -.27925668 |
| 4 | 4s | 11.460413 | .01281023 |
| 5 | 3s | 12.802016 | .01094379 |
| 6 | 5s | 3.441600 | -.01745928 |
| 7 | 5s | 37.342241 | -.00024030 |
| 8 | 4s | 2.891615 | .01017967 |
| 9 | 4s | 55.318315 | -.00006009 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .767262 | < R2 > | .694076 | < 1/R > | 1.885547 | < 1/R**2 > | 14.475451 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.709851 | .61332469 |
| 2 | 1s | 13.272227 | .30140559 |
| 3 | 1s | 5.853573 | .00715239 |
| 4 | 2s | 10.366336 | .13441706 |
| 5 | 3s | 10.777793 | -.04338723 |
| 6 | 4s | 18.427741 | .00290142 |
| 7 | 5s | 61.033970 | -.00003946 |
| 8 | 5s | 5.905135 | .00028258 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .157000 | < R2 > | .033129 | < 1/R > | 9.640999 | < 1/R**2 > | 187.870977 |
Total Energy= -120.91212507 a.u.
Kinetic Energy= 120.92011848 a.u.
Potential Energy= -241.83224355 a.u.
Virial Ratio = -1.99993390