(1s 2 2s 2 2p 1 3p 1 ) 1 D N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1231.
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 | 3p | .886494 | -1.54130446 |
| 2 | 2p | .827009 | .58686445 |
| 3 | 2p | 4.191907 | .02332786 |
| 4 | 4p | 4.934622 | .00789738 |
| 5 | 5p | .639044 | .09096485 |
| 6 | 5p | 1.956117 | -.05006657 |
| 7 | 3p | 9.412171 | -.00011873 |
| ORB.ENERGY,a.u. | -.313710 | ||
| NORM | 1.000000 | < R > | 4.155889 | < R2 > | 19.119568 | < 1/R > | .271779 | < 1/R**2 > | .092800 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.049939 | .00555335 |
| 2 | 2p | 1.807423 | .91108464 |
| 3 | 2p | 3.183827 | .30942519 |
| 4 | 3p | 1.073318 | -.88264574 |
| 5 | 4p | 1.317348 | .58170515 |
| 6 | 5p | .594729 | .01374770 |
| 7 | 3p | 10.530467 | .00237582 |
| 8 | 5p | 6.179635 | -.00792997 |
| ORB.ENERGY,a.u. | -1.440200 | ||
| NORM | 1.000000 | < R > | 1.093817 | < R2 > | 1.614229 | < 1/R > | 1.192902 | < 1/R**2 > | 1.958708 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.376808 | .26959327 |
| 2 | 2s | 2.067412 | -.75886698 |
| 3 | 3s | 3.323060 | -.28176192 |
| 4 | 4s | 12.649325 | .00326884 |
| 5 | 5s | 6.767747 | -.02182315 |
| 6 | 5s | 4.514150 | .01743209 |
| 7 | 4s | 27.145468 | .00007223 |
| 8 | 4s | 1.232316 | -.00163516 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.185064 | < R2 > | 1.662324 | < 1/R > | 1.205458 | < 1/R**2 > | 5.875254 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.286255 | .00632773 |
| 2 | 1s | 6.253461 | .70919300 |
| 3 | 1s | 9.330502 | .22660231 |
| 4 | 2s | 7.133123 | .08428683 |
| 5 | 3s | 7.735578 | -.01450833 |
| 6 | 4s | 12.886064 | .00522365 |
| 7 | 5s | 22.303842 | .00014143 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227728 | < R2 > | .069814 | < 1/R > | 6.662820 | < 1/R**2 > | 90.033704 |
Total Energy= -53.13430310 a.u.
Kinetic Energy= 53.17022128 a.u.
Potential Energy= -106.30452438 a.u.
Virial Ratio = -1.99932447