(1s 2 2s 2 2p 1 3s 1 ) 1 P N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1130.
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 | 6.216217 | .07641083 |
| 2 | 2s | 1.767337 | -.39226758 |
| 3 | 3s | .950915 | 1.12944710 |
| 4 | 4s | 4.868688 | -.03158240 |
| 5 | 5s | 8.261807 | -.00390084 |
| 6 | 5s | .830775 | .00947697 |
| ORB.ENERGY,a.u. | -.386180 | ||
| NORM | 1.000000 | < R > | 3.999227 | < R2 > | 17.983309 | < 1/R > | .317891 | < 1/R**2 > | .487032 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.040310 | .84454567 |
| 2 | 2p | 3.561355 | .17504164 |
| 3 | 2p | 7.875247 | .00920041 |
| 4 | 3p | 1.097761 | -.00634544 |
| 5 | 4p | 1.670553 | .01020409 |
| 6 | 4p | 12.295893 | -.00069375 |
| ORB.ENERGY,a.u. | -1.397000 | ||
| NORM | 1.000000 | < R > | 1.125783 | < R2 > | 1.556929 | < 1/R > | 1.145555 | < 1/R**2 > | 1.824984 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.426281 | .26886639 |
| 2 | 2s | 2.000125 | -.76667103 |
| 3 | 3s | 3.462575 | -.27838230 |
| 4 | 4s | 12.964882 | .00246257 |
| 5 | 5s | 7.059111 | -.02267277 |
| 6 | 5s | 2.267143 | .02722417 |
| 7 | 4s | 27.027519 | .00004666 |
| 8 | 4s | 1.055565 | .01365314 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.171775 | < R2 > | 1.618065 | < 1/R > | 1.216651 | < 1/R**2 > | 5.973488 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.253847 | .70935861 |
| 2 | 1s | 9.332140 | .22642648 |
| 3 | 2s | 7.147085 | .08428611 |
| 4 | 3s | 7.710666 | -.01452447 |
| 5 | 4s | 12.957198 | .00516276 |
| 6 | 1s | 3.229800 | .00655264 |
| 7 | 5s | 1.384508 | -.00070971 |
| 8 | 3s | 28.969958 | -.00005108 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227707 | < R2 > | .069806 | < 1/R > | 6.663241 | < 1/R**2 > | 90.041826 |
Total Energy= -53.20989535 a.u.
Kinetic Energy= 53.20183494 a.u.
Potential Energy= -106.41173029 a.u.
Virial Ratio = -2.00015151