(1s 2 2s 2 2p 2 3s 1 ) 2 P N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2130.
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 | 6.449044 | .03988896 |
| 2 | 2s | 1.731775 | -.18070346 |
| 3 | 3s | .605744 | 1.22522744 |
| 4 | 4s | 4.916916 | -.02482502 |
| 5 | 5s | .795766 | -.20531955 |
| 6 | 5s | 9.444952 | -.00225538 |
| 7 | 4s | 31.838618 | .00006547 |
| 8 | 3s | 59.218339 | .00001239 |
| 9 | 4s | .330870 | .00180590 |
| ORB.ENERGY,a.u. | -.135550 | ||
| NORM | 1.000000 | < R > | 5.693222 | < R2 > | 36.965757 | < 1/R > | .214594 | < 1/R**2 > | .170500 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.741005 | .73321966 |
| 2 | 2p | 3.002290 | .27940064 |
| 3 | 2p | 6.630835 | .02073272 |
| 4 | 3p | 1.171640 | .02243971 |
| 5 | 4p | 2.077168 | -.00428084 |
| 6 | 5p | 8.162945 | .00471566 |
| 7 | 5p | 1.167618 | -.00554709 |
| 8 | 4p | 56.472588 | .00000449 |
| ORB.ENERGY,a.u. | -.808520 | ||
| NORM | 1.000000 | < R > | 1.246440 | < R2 > | 1.940239 | < 1/R > | 1.053619 | < 1/R**2 > | 1.574035 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.883782 | .28802781 |
| 2 | 2s | 2.547988 | -.77011561 |
| 3 | 3s | 2.069008 | -.35156466 |
| 4 | 4s | 8.104632 | .02094094 |
| 5 | 3s | 9.351027 | .00966675 |
| 6 | 5s | .949619 | .01026645 |
| 7 | 5s | 16.347447 | .00083950 |
| 8 | 4s | .543261 | .00339007 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.247399 | < R2 > | 1.855463 | < 1/R > | 1.144284 | < 1/R**2 > | 5.313380 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.229969 | .71797056 |
| 2 | 1s | 9.299828 | .22523049 |
| 3 | 1s | 2.616775 | .00480443 |
| 4 | 2s | 6.897534 | .08341625 |
| 5 | 3s | 7.773085 | -.02157974 |
| 6 | 4s | 12.717674 | .00685668 |
| 7 | 5s | 28.370902 | .00015866 |
| 8 | 5s | 1.016149 | -.00047627 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228097 | < R2 > | .070110 | < 1/R > | 6.656526 | < 1/R**2 > | 89.906639 |
Total Energy= -54.02781475 a.u.
Kinetic Energy= 54.02351108 a.u.
Potential Energy= -108.05132583 a.u.
Virial Ratio = -2.00007966