(1s 2 2s 2 2p 3 4s 1 ) 3 S Ne 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 8.532000 | .05205387 |
| 2 | 2s | 2.566614 | -.31198460 |
| 3 | 3s | 1.256863 | 1.21793090 |
| 4 | 4s | .937587 | -1.55818462 |
| 5 | 5s | 1.533965 | -.03456307 |
| 6 | 4s | 4.082141 | .03715330 |
| 7 | 5s | 10.375734 | -.00380587 |
| 8 | 4s | 20.084081 | .00019362 |
| ORB.ENERGY,a.u. | -.413630 | ||
| NORM | 1.000000 | < R > | 5.483659 | < R2 > | 33.773322 | < 1/R > | .244890 | < 1/R**2 > | .399629 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.006741 | .76964938 |
| 2 | 2p | 4.947193 | .24033907 |
| 3 | 2p | 9.948165 | .01649251 |
| 4 | 3p | 3.095178 | -.00199351 |
| 5 | 4p | 2.688489 | .01270436 |
| 6 | 5p | 12.531996 | .00280591 |
| ORB.ENERGY,a.u. | -3.294500 | ||
| NORM | 1.000000 | < R > | .743779 | < R2 > | .683963 | < 1/R > | 1.743021 | < 1/R**2 > | 4.236843 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.231623 | .33598172 |
| 2 | 2s | 3.843157 | -.84069070 |
| 3 | 3s | 3.289719 | -.28837662 |
| 4 | 4s | 15.584984 | .00258195 |
| 5 | 3s | 9.919742 | .01926857 |
| 6 | 5s | 1.026445 | -.01069693 |
| 7 | 4s | 1.864619 | .00624896 |
| 8 | 5s | 61.455269 | -.00001296 |
| ORB.ENERGY,a.u. | -3.109400 | ||
| NORM | 1.000000 | < R > | .795955 | < R2 > | .752537 | < 1/R > | 1.816336 | < 1/R**2 > | 13.489380 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.065429 | .86515881 |
| 2 | 1s | 13.115865 | .14309166 |
| 3 | 1s | .264985 | -.00053073 |
| 4 | 3s | 6.268993 | .00380797 |
| 5 | 4s | 19.996357 | .00349439 |
| 6 | 2s | 8.809771 | -.00766791 |
| 7 | 5s | 28.465330 | -.00024106 |
| 8 | 5s | .892459 | .00093521 |
| 9 | 2s | 35.501476 | .00003157 |
| ORB.ENERGY,a.u. | -33.976000 |
| NORM | 1.000000 | < R > | .157284 | < R2 > | .033290 | < 1/R > | 9.630410 | < 1/R**2 > | 187.556501 |
Total Energy= -124.52414962 a.u.
Kinetic Energy= 124.51758447 a.u.
Potential Energy= -249.04173409 a.u.
Virial Ratio = -2.00005272