(1s 2 2s 2 3p 1 ) 2 P Ne 5+
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 | 2.128640 | -1.39280398 |
| 2 | 2p | 2.834428 | .76464994 |
| 3 | 2p | 7.154537 | .05523665 |
| 4 | 4p | 8.644112 | .01637906 |
| 5 | 5p | 4.922906 | -.02788116 |
| 6 | 3p | 26.920471 | .00003527 |
| ORB.ENERGY,a.u. | -2.255300 | ||
| NORM | 1.000000 | < R > | 1.844359 | < R2 > | 3.912532 | < 1/R > | .752904 | < 1/R**2 > | 1.202548 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.101174 | .38487129 |
| 2 | 2s | 4.082193 | -.86866218 |
| 3 | 3s | 4.452551 | -.25301788 |
| 4 | 4s | 11.172041 | .01771278 |
| 5 | 3s | 12.738004 | .01133183 |
| 6 | 5s | 4.046465 | -.02197580 |
| 7 | 5s | 20.952317 | .00114849 |
| 8 | 4s | 51.362053 | -.00002961 |
| ORB.ENERGY,a.u. | -6.831700 | ||
| NORM | 1.000000 | < R > | .716595 | < R2 > | .601316 | < 1/R > | 2.026785 | < 1/R**2 > | 16.579027 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.283687 | .88811112 |
| 2 | 1s | 13.591213 | .10769536 |
| 3 | 2s | 7.528055 | .01488967 |
| 4 | 3s | 8.740750 | -.00854130 |
| 5 | 4s | 19.036110 | .00371162 |
| 6 | 5s | 5.137364 | -.00014468 |
| ORB.ENERGY,a.u. | -39.625000 |
| NORM | 1.000000 | < R > | .156267 | < R2 > | .032749 | < 1/R > | 9.669215 | < 1/R**2 > | 188.716032 |
Total Energy= -112.36566124 a.u.
Kinetic Energy= 112.36565963 a.u.
Potential Energy= -224.73132087 a.u.
Virial Ratio = -2.00000001