(1s 2 2s 2 2p 2 4s 1 ) 4 P N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4140.
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 | 6.349296 | .03004127 |
| 2 | 2s | 1.853737 | -.12035565 |
| 3 | 3s | .671765 | .69182220 |
| 4 | 4s | .379554 | -1.17143324 |
| 5 | 5s | 1.019072 | -.04410236 |
| 6 | 4s | 4.560275 | -.02135827 |
| 7 | 5s | 8.592803 | -.00325147 |
| 8 | 4s | 13.177127 | -.00041442 |
| 9 | 5s | .235753 | -.00295864 |
| ORB.ENERGY,a.u. | -.060331 | ||
| NORM | .999999 | < R > | 12.521944 | < R2 > | 177.242191 | < 1/R > | .108052 | < 1/R**2 > | .082546 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.752753 | .71930725 |
| 2 | 2p | 2.981459 | .28355931 |
| 3 | 2p | 6.113470 | .01924865 |
| 4 | 3p | 1.250010 | .02679670 |
| 5 | 2p | 8.322858 | .00309754 |
| 6 | 5p | 8.115956 | .00374061 |
| 7 | 5p | 1.055219 | -.00243038 |
| ORB.ENERGY,a.u. | -.943780 | ||
| NORM | 1.000000 | < R > | 1.245737 | < R2 > | 1.940289 | < 1/R > | 1.054797 | < 1/R**2 > | 1.577631 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.036425 | .27623854 |
| 2 | 2s | 2.447968 | -.82218177 |
| 3 | 3s | 1.985123 | -.28663925 |
| 4 | 4s | 8.749448 | .02825239 |
| 5 | 3s | 14.806657 | .00567545 |
| 6 | 5s | .990375 | -.00329643 |
| 7 | 4s | .377351 | .00658993 |
| 8 | 5s | 15.567792 | .00400325 |
| 9 | 2s | 28.351326 | .00020687 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.254744 | < R2 > | 1.886170 | < 1/R > | 1.139901 | < 1/R**2 > | 5.279872 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.227480 | .71826683 |
| 2 | 1s | 9.301190 | .22536791 |
| 3 | 1s | 2.547590 | .00435835 |
| 4 | 2s | 6.887011 | .08372352 |
| 5 | 3s | 7.739145 | -.02163889 |
| 6 | 4s | 12.773254 | .00655509 |
| 7 | 5s | 28.187441 | .00013571 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228082 | < R2 > | .070092 | < 1/R > | 6.656763 | < 1/R**2 > | 89.911588 |
Total Energy= -53.94733938 a.u.
Kinetic Energy= 53.94831887 a.u.
Potential Energy= -107.89565825 a.u.
Virial Ratio = -1.99998184