(1s 2 2s 2 2p 3 3s 1 ) 3 S Ne 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 3s- electron | |
| 1 | 1s | 8.868340 | .08233584 |
| 2 | 2s | 2.609794 | -.39580374 |
| 3 | 3s | 1.418491 | 1.13261237 |
| 4 | 4s | 7.298636 | -.03511995 |
| 5 | 5s | 13.513977 | -.00549254 |
| 6 | 5s | 1.260402 | .01002677 |
| 7 | 4s | 20.120048 | -.00122328 |
| 8 | 5s | 60.223171 | -.00003243 |
| ORB.ENERGY,a.u. | -.862600 | ||
| NORM | 1.000000 | < R > | 2.684705 | < R2 > | 8.104495 | < 1/R > | .475805 | < 1/R**2 > | 1.123096 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.989746 | .76933670 |
| 2 | 2p | 4.941374 | .24135278 |
| 3 | 2p | 9.870338 | .01701000 |
| 4 | 3p | 1.678688 | -.00116838 |
| 5 | 4p | 2.418178 | .01146333 |
| 6 | 5p | 12.496754 | .00303098 |
| 7 | 5p | 1.971507 | -.00130128 |
| ORB.ENERGY,a.u. | -3.050800 | ||
| NORM | 1.000000 | < R > | .745719 | < R2 > | .687626 | < 1/R > | 1.739040 | < 1/R**2 > | 4.219473 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.250273 | .33619952 |
| 2 | 2s | 3.842119 | -.83432386 |
| 3 | 3s | 3.334382 | -.29196209 |
| 4 | 4s | 11.957707 | .01153020 |
| 5 | 3s | 13.197721 | .00836454 |
| 6 | 5s | 1.977444 | .01425209 |
| 7 | 4s | 1.229523 | .00301296 |
| 8 | 5s | 37.989043 | -.00005418 |
| 9 | 3s | 27.963014 | -.00018914 |
| ORB.ENERGY,a.u. | -3.109400 | ||
| NORM | 1.000000 | < R > | .790609 | < R2 > | .738042 | < 1/R > | 1.824665 | < 1/R**2 > | 13.593236 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.065082 | .86788032 |
| 2 | 1s | 13.134918 | .14132273 |
| 3 | 1s | 1.229085 | -.00396091 |
| 4 | 3s | 5.950360 | .00593811 |
| 5 | 4s | 19.458048 | .00302875 |
| 6 | 2s | 8.571668 | -.00818713 |
| 7 | 3s | 29.546471 | -.00007068 |
| 8 | 5s | 3.729499 | .00205968 |
| ORB.ENERGY,a.u. | -33.976000 |
| NORM | 1.000000 | < R > | .157302 | < R2 > | .033294 | < 1/R > | 9.629770 | < 1/R**2 > | 187.536960 |
Total Energy= -124.98636399 a.u.
Kinetic Energy= 124.96605917 a.u.
Potential Energy= -249.95242316 a.u.
Virial Ratio = -2.00016248