(1s 2 2s 2 2p 1 4s 1 ) 1 P N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1140.
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 | 6.330771 | .04418854 |
| 2 | 2s | 1.227090 | -.50763772 |
| 3 | 3s | 1.140876 | .97472029 |
| 4 | 4s | .622917 | -1.47384495 |
| 5 | 5s | 5.139866 | -.01797400 |
| 6 | 5s | 1.073922 | .46929728 |
| 7 | 4s | 6.402888 | -.01478988 |
| 8 | 5s | 25.030627 | -.00007388 |
| ORB.ENERGY,a.u. | -.184670 | ||
| NORM | .999999 | < R > | 8.189108 | < R2 > | 75.306555 | < 1/R > | .163313 | < 1/R**2 > | .172006 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.055988 | .84312122 |
| 2 | 2p | 3.538659 | .17458351 |
| 3 | 2p | 7.969810 | .00918234 |
| 4 | 3p | 2.231012 | -.00427630 |
| 5 | 4p | 1.829093 | .01167612 |
| 6 | 4p | 14.801619 | -.00014356 |
| 7 | 5p | 14.512549 | -.00029784 |
| 8 | 5p | .713881 | .00053305 |
| ORB.ENERGY,a.u. | -1.552700 | ||
| NORM | 1.000000 | < R > | 1.122671 | < R2 > | 1.549998 | < 1/R > | 1.149082 | < 1/R**2 > | 1.835656 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.414394 | .26883994 |
| 2 | 2s | 2.025413 | -.75647163 |
| 3 | 3s | 3.419403 | -.27211974 |
| 4 | 4s | 13.499055 | .00202910 |
| 5 | 5s | 7.037803 | -.02537089 |
| 6 | 5s | .674987 | -.01116053 |
| 7 | 4s | 1.899610 | .02205569 |
| 8 | 3s | 2.302842 | -.00888519 |
| 9 | 5s | 42.806525 | .00001391 |
| 10 | 2s | .397621 | .00414736 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.177598 | < R2 > | 1.641531 | < 1/R > | 1.212693 | < 1/R**2 > | 5.941016 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.251632 | .70872898 |
| 2 | 1s | 9.324277 | .22706148 |
| 3 | 1s | 3.381233 | .00724736 |
| 4 | 2s | 7.135829 | .08376351 |
| 5 | 3s | 7.601696 | -.01465647 |
| 6 | 4s | 12.983294 | .00488587 |
| 7 | 3s | 26.549715 | -.00006243 |
| 8 | 5s | 1.383184 | -.00030846 |
| 9 | 4s | .590267 | .00049942 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227680 | < R2 > | .069790 | < 1/R > | 6.663714 | < 1/R**2 > | 90.052023 |
Total Energy= -53.00301290 a.u.
Kinetic Energy= 53.00041073 a.u.
Potential Energy= -106.00342363 a.u.
Virial Ratio = -2.00004910