(1s 2 2s 2 2p 1 3p 1 ) 3 S N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3031.
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 | 1.700822 | .31255861 |
| 2 | 3p | .831055 | -1.07023625 |
| 3 | 2p | 4.631653 | .03923406 |
| 4 | 4p | 5.412231 | .01609690 |
| 5 | 5p | 2.966906 | -.03724205 |
| 6 | 5p | .771633 | -.00961374 |
| ORB.ENERGY,a.u. | -.310400 | ||
| NORM | 1.000000 | < R > | 4.427674 | < R2 > | 22.269487 | < 1/R > | .287408 | < 1/R**2 > | .167743 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.120833 | .83438837 |
| 2 | 2p | 3.459915 | .18186834 |
| 3 | 2p | 7.132179 | .01091223 |
| 4 | 3p | 4.735605 | -.03442369 |
| 5 | 4p | 1.859233 | .02835384 |
| 6 | 4p | 6.235615 | .01468857 |
| 7 | 3p | 17.617290 | .00007436 |
| 8 | 3p | .980983 | .00139393 |
| ORB.ENERGY,a.u. | -1.436900 | ||
| NORM | 1.000000 | < R > | 1.113411 | < R2 > | 1.525989 | < 1/R > | 1.158378 | < 1/R**2 > | 1.863255 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.374116 | .26994015 |
| 2 | 2s | 2.070043 | -.76015196 |
| 3 | 3s | 3.321819 | -.28105469 |
| 4 | 4s | 12.640203 | .00333221 |
| 5 | 5s | 6.736714 | -.02202044 |
| 6 | 5s | 4.530435 | .01799644 |
| 7 | 4s | 27.241958 | .00007354 |
| 8 | 4s | 1.165097 | -.00127228 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.184235 | < R2 > | 1.659690 | < 1/R > | 1.206241 | < 1/R**2 > | 5.882367 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.284396 | .00629794 |
| 2 | 1s | 6.253589 | .70921815 |
| 3 | 1s | 9.330548 | .22659114 |
| 4 | 2s | 7.133702 | .08428969 |
| 5 | 3s | 7.731927 | -.01451053 |
| 6 | 4s | 12.861650 | .00521737 |
| 7 | 5s | 22.184660 | .00015697 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227722 | < R2 > | .069809 | < 1/R > | 6.662931 | < 1/R**2 > | 90.036013 |
Total Energy= -53.12629881 a.u.
Kinetic Energy= 53.12617887 a.u.
Potential Energy= -106.25247768 a.u.
Virial Ratio = -2.00000226