(1s 2 2s 2 2p 3 5s 1 ) 5 S Ne 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5050.
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 | 5s- electron | |
| 1 | 1s | 9.454055 | .03555454 |
| 2 | 2s | 2.866317 | -.18454584 |
| 3 | 3s | 1.252276 | .93231929 |
| 4 | 4s | .866569 | -2.38941825 |
| 5 | 5s | .717454 | 2.21827271 |
| 6 | 5s | 8.823710 | -.01097745 |
| 7 | 4s | 19.012969 | .00131572 |
| 8 | 2s | 12.943233 | .00277984 |
| 9 | 5s | 55.310086 | .00003918 |
| ORB.ENERGY,a.u. | -.248380 | ||
| NORM | .999998 | < R > | 9.095194 | < R2 > | 92.629878 | < 1/R > | .155456 | < 1/R**2 > | .243712 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.990402 | .75960922 |
| 2 | 2p | 4.903378 | .25154209 |
| 3 | 2p | 9.956861 | .01657485 |
| 4 | 3p | 1.661670 | -.00269047 |
| 5 | 4p | 2.535116 | .01266821 |
| 6 | 5p | 12.557339 | .00269919 |
| 7 | 5p | 3.739572 | -.00082470 |
| ORB.ENERGY,a.u. | -3.402500 | ||
| NORM | 1.000000 | < R > | .743285 | < R2 > | .683059 | < 1/R > | 1.744113 | < 1/R**2 > | 4.241677 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.238843 | .33477581 |
| 2 | 2s | 3.684782 | -.90411206 |
| 3 | 3s | 3.158183 | -.20853168 |
| 4 | 4s | 19.037319 | .00525067 |
| 5 | 5s | 14.791414 | .00965390 |
| 6 | 5s | .639827 | -.07661248 |
| 7 | 4s | .539636 | .11023697 |
| 8 | 2s | 45.950662 | -.00006856 |
| 9 | 3s | .426166 | -.03685000 |
| 10 | 2s | 62.631014 | .00001358 |
| ORB.ENERGY,a.u. | -3.109400 | ||
| NORM | 1.000000 | < R > | .798081 | < R2 > | .756807 | < 1/R > | 1.812000 | < 1/R**2 > | 13.432177 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.067204 | .86417208 |
| 2 | 1s | 13.088105 | .14409670 |
| 3 | 1s | 1.895519 | -.00187097 |
| 4 | 3s | 6.520412 | .00585338 |
| 5 | 4s | 19.179437 | .00336122 |
| 6 | 2s | 8.216810 | -.00829917 |
| 7 | 5s | 71.842416 | -.00000929 |
| 8 | 5s | 3.967133 | .00098768 |
| 9 | 3s | .212864 | .00018378 |
| ORB.ENERGY,a.u. | -33.976000 |
| NORM | 1.000000 | < R > | .157272 | < R2 > | .033283 | < 1/R > | 9.630807 | < 1/R**2 > | 187.568299 |
Total Energy= -124.35014788 a.u.
Kinetic Energy= 124.35246204 a.u.
Potential Energy= -248.70260993 a.u.
Virial Ratio = -1.99998139