(1s 2 2s 2 2p 6 5p 1 ) 2 P Ar 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
1 | 2p | 10.479038 | .04789341 |
2 | 2p | 5.059407 | .18694726 |
3 | 3p | 2.240929 | -2.01932314 |
4 | 4p | 1.998143 | 4.05094662 |
5 | 5p | 1.696150 | -2.81601770 |
6 | 5p | 16.446434 | .00184179 |
7 | 4p | 38.942590 | -.00011346 |
8 | 3p | 1.056663 | .02901089 |
ORB.ENERGY,a.u. | -1.474800 |
NORM | 1.000000 | < R > | 3.960025 | < R2 > | 17.632815 | < 1/R > | .363234 | < 1/R**2 > | .495193 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 10.165259 | .45877892 |
2 | 3p | 8.308870 | .46449856 |
3 | 5p | 6.447459 | .01516957 |
4 | 4p | 7.145423 | .16001758 |
5 | 2p | 21.656182 | .00410274 |
6 | 5p | 15.456882 | -.00341275 |
7 | 4p | 67.269017 | .00002912 |
8 | 3p | 108.448397 | .00000280 |
9 | 5p | 1.187809 | .00002500 |
ORB.ENERGY,a.u. | -14.546000 |
NORM | 1.000000 | < R > | .370362 | < R2 > | .169046 | < 1/R > | 3.484577 | < 1/R**2 > | 16.812739 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 14.416943 | .38903820 |
2 | 2s | 7.558192 | -.84418945 |
3 | 3s | 6.720190 | -.30722936 |
4 | 4s | 30.333278 | .00161527 |
5 | 3s | 17.612494 | .00839384 |
6 | 2s | 6.433432 | .00354227 |
7 | 5s | 5.712377 | -.00146197 |
8 | 4s | 3.596295 | .00025248 |
ORB.ENERGY,a.u. | -17.326000 |
NORM | 1.000000 | < R > | .408665 | < R2 > | .197169 | < 1/R > | 3.583590 | < 1/R**2 > | 52.719214 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.576887 | 1.01047392 |
2 | 2s | 23.153799 | -.01898438 |
3 | 3s | 15.574969 | .01586054 |
4 | 4s | 66.291282 | -.00051955 |
5 | 5s | 11.674968 | .00099493 |
6 | 5s | 83.197021 | .00017690 |
7 | 4s | 11.916961 | -.00081371 |
8 | 2s | 34.308293 | -.00080802 |
9 | 3s | 125.384780 | -.00001433 |
10 | 2s | 2.120231 | .00000640 |
ORB.ENERGY,a.u. | -123.610000 |
NORM | 1.000000 | < R > | .086060 | < R2 > | .009948 | < 1/R > | 17.559159 | < 1/R**2 > | 621.459492 |
Total Energy= -507.44194839 a.u.
Kinetic Energy= 507.44196159 a.u.
Potential Energy= -1014.88390998 a.u.
Virial Ratio = -1.99999997