(1s 2 2s 2 2p 1 3s 1 ) 3 P N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3130.
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 | 6.171758 | .09351726 |
| 2 | 2s | 1.896840 | -.41927619 |
| 3 | 3s | .984367 | 1.10630583 |
| 4 | 4s | 4.614388 | -.04609929 |
| 5 | 5s | 8.056759 | -.00611766 |
| 6 | 5s | .930168 | .02416467 |
| ORB.ENERGY,a.u. | -.399040 | ||
| NORM | 1.000000 | < R > | 3.843632 | < R2 > | 16.770834 | < 1/R > | .348769 | < 1/R**2 > | .682528 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.066817 | .82726899 |
| 2 | 2p | 3.479487 | .17567809 |
| 3 | 2p | 7.714312 | .01052123 |
| 4 | 3p | .700612 | -.00953579 |
| 5 | 4p | 1.666853 | .03210707 |
| 6 | 4p | 12.355192 | -.00063140 |
| 7 | 5p | .915958 | .00701001 |
| ORB.ENERGY,a.u. | -1.409800 | ||
| NORM | 1.000000 | < R > | 1.132184 | < R2 > | 1.582993 | < 1/R > | 1.142756 | < 1/R**2 > | 1.818840 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.389587 | .26894486 |
| 2 | 2s | 2.066428 | -.74568039 |
| 3 | 3s | 3.415250 | -.27326942 |
| 4 | 4s | 13.823497 | .00161189 |
| 5 | 5s | 7.123933 | -.02588918 |
| 6 | 5s | 3.123681 | -.00824832 |
| 7 | 4s | 1.121791 | -.01015758 |
| 8 | 3s | 5.000494 | .00824734 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.187074 | < R2 > | 1.672952 | < 1/R > | 1.205510 | < 1/R**2 > | 5.880840 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.241352 | .71051918 |
| 2 | 1s | 9.328561 | .22749567 |
| 3 | 2s | 7.151182 | .08329471 |
| 4 | 3s | 7.768396 | -.01458911 |
| 5 | 4s | 13.046113 | .00538543 |
| 6 | 5s | 62.526221 | -.00001021 |
| 7 | 1s | 3.175890 | .00491021 |
| 8 | 5s | 1.457700 | .00028323 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227667 | < R2 > | .069769 | < 1/R > | 6.663852 | < 1/R**2 > | 90.053975 |
Total Energy= -53.21082275 a.u.
Kinetic Energy= 53.21467661 a.u.
Potential Energy= -106.42549936 a.u.
Virial Ratio = -1.99992758