(1s 2 2s 2 2p 6 ) 1 S Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 2p- electron | |
| 1 | 2p | 2.325210 | 1.50329387 |
| 2 | 3p | 2.953508 | -.61622708 |
| 3 | 2p | 6.941976 | .09143176 |
| 4 | 4p | 7.878494 | .02438303 |
| 5 | 5p | 2.005627 | .05621313 |
| 6 | 3p | 44.244596 | .00016287 |
| 7 | 4p | 68.329328 | -.00016393 |
| 8 | 4p | .842063 | .00036873 |
| 9 | 5p | 90.828602 | .00006439 |
| ORB.ENERGY,a.u. | -.598270 | ||
| NORM | 1.000000 | < R > | .965274 | < R2 > | 1.228458 | < 1/R > | 1.435350 | < 1/R**2 > | 3.058850 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.351092 | .29561150 |
| 2 | 2s | 3.731396 | -.75851262 |
| 3 | 3s | 2.765767 | -.37124255 |
| 4 | 4s | 12.870007 | .01099856 |
| 5 | 3s | 14.476896 | .00391369 |
| 6 | 5s | 2.019714 | -.02278950 |
| 7 | 5s | 27.337966 | .00026484 |
| 8 | 4s | 1.511080 | .01831019 |
| 9 | 3s | 1.106745 | -.00622218 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .892113 | < R2 > | .967084 | < 1/R > | 1.632553 | < 1/R**2 > | 11.071319 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.236380 | .92266229 |
| 2 | 1s | 14.481491 | .08128090 |
| 3 | 2s | 4.622706 | .00996563 |
| 4 | 3s | 13.301046 | -.00667170 |
| 5 | 4s | 19.609363 | .00304847 |
| 6 | 5s | 58.488006 | -.00001203 |
| 7 | 5s | 4.443408 | .00468763 |
| 8 | 4s | 4.131548 | -.00629941 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157631 | < R2 > | .033470 | < 1/R > | 9.618053 | < 1/R**2 > | 187.197203 |
Total Energy= -128.54709728 a.u.
Kinetic Energy= 128.54708471 a.u.
Potential Energy= -257.09418199 a.u.
Virial Ratio = -2.00000010