(1s 2 2s 2 2p 1 3p 1 ) 3 P N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 2p | 2.058093 | .15012362 |
| 2 | 3p | .895596 | -1.03896948 |
| 3 | 2p | 6.708675 | .00296131 |
| 4 | 4p | 1.881758 | .07743914 |
| 5 | 5p | 4.611443 | -.00728632 |
| 6 | 5p | .899860 | -.07044050 |
| ORB.ENERGY,a.u. | -.324790 | ||
| NORM | 1.000000 | < R > | 4.288099 | < R2 > | 20.622996 | < 1/R > | .267047 | < 1/R**2 > | .091904 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.030925 | .85701193 |
| 2 | 2p | 3.447316 | .20425063 |
| 3 | 2p | 7.997811 | .00974638 |
| 4 | 3p | .865748 | -.16968336 |
| 5 | 4p | 1.711164 | .00342374 |
| 6 | 5p | 16.104587 | -.00026014 |
| 7 | 5p | .554742 | -.00049881 |
| ORB.ENERGY,a.u. | -1.451300 | ||
| NORM | 1.000000 | < R > | 1.104735 | < R2 > | 1.673648 | < 1/R > | 1.186345 | < 1/R**2 > | 1.940973 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.375081 | .26983886 |
| 2 | 2s | 2.068855 | -.75992096 |
| 3 | 3s | 3.325757 | -.28103008 |
| 4 | 4s | 12.622517 | .00334317 |
| 5 | 5s | 6.742745 | -.02188223 |
| 6 | 5s | 4.536404 | .01762786 |
| 7 | 4s | 27.084625 | .00007503 |
| 8 | 4s | 1.200504 | -.00141939 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.184476 | < R2 > | 1.660526 | < 1/R > | 1.206052 | < 1/R**2 > | 5.880729 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.284712 | .00630164 |
| 2 | 1s | 6.253606 | .70918595 |
| 3 | 1s | 9.330255 | .22662082 |
| 4 | 2s | 7.133698 | .08428746 |
| 5 | 3s | 7.730673 | -.01451323 |
| 6 | 4s | 12.862928 | .00521983 |
| 7 | 5s | 22.194545 | .00015585 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227719 | < R2 > | .069808 | < 1/R > | 6.662976 | < 1/R**2 > | 90.036995 |
Total Energy= -53.13579588 a.u.
Kinetic Energy= 53.13919140 a.u.
Potential Energy= -106.27498728 a.u.
Virial Ratio = -1.99993610