(1s 2 2s 2 2p 5 3p 1 ) 1 P Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | .620637 | -.44681044 |
| 2 | 2p | .329520 | -.65873700 |
| 3 | 2p | 3.943671 | .08722175 |
| 4 | 4p | 2.347463 | .03831525 |
| 5 | 5p | .426141 | .12348049 |
| 6 | 5p | 4.283432 | .02260714 |
| 7 | 3p | 6.878137 | -.00745205 |
| 8 | 4p | 19.608284 | -.00008935 |
| ORB.ENERGY,a.u. | -.104860 | ||
| NORM | 1.000000 | < R > | 6.285754 | < R2 > | 45.860093 | < 1/R > | .195368 | < 1/R**2 > | .070095 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.717123 | .12904817 |
| 2 | 2p | 2.549694 | .59636652 |
| 3 | 2p | 4.500398 | .30471303 |
| 4 | 2p | 10.014252 | .01961434 |
| 5 | 4p | 2.212247 | .02975687 |
| 6 | 4p | 10.390452 | .01215762 |
| 7 | 3p | 1.605844 | -.01517947 |
| 8 | 3p | 14.530806 | .00170513 |
| 9 | 5p | .596772 | -.00031060 |
| ORB.ENERGY,a.u. | -1.174900 | ||
| NORM | 1.000000 | < R > | .876176 | < R2 > | .982778 | < 1/R > | 1.536498 | < 1/R**2 > | 3.418690 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.503486 | .29674149 |
| 2 | 2s | 3.736130 | -.78247703 |
| 3 | 3s | 2.886606 | -.34425076 |
| 4 | 4s | 13.042095 | .01872406 |
| 5 | 3s | 21.727519 | .00431005 |
| 6 | 5s | 1.932971 | -.02230969 |
| 7 | 5s | 22.826142 | .00263066 |
| 8 | 4s | 1.589917 | .02688604 |
| 9 | 3s | 1.155087 | -.00623802 |
| 10 | 2s | 38.473183 | .00022359 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860628 | < R2 > | .891128 | < 1/R > | 1.685015 | < 1/R**2 > | 11.728689 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241484 | .92189520 |
| 2 | 1s | 14.465116 | .08150692 |
| 3 | 2s | 5.558635 | .00859951 |
| 4 | 3s | 13.416356 | -.00703149 |
| 5 | 4s | 19.908894 | .00340414 |
| 6 | 5s | 31.591060 | -.00006291 |
| 7 | 5s | 3.680169 | .00023458 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157573 | < R2 > | .033437 | < 1/R > | 9.619975 | < 1/R**2 > | 187.251564 |
Total Energy= -127.92447152 a.u.
Kinetic Energy= 127.92267588 a.u.
Potential Energy= -255.84714740 a.u.
Virial Ratio = -2.00001404