(1s 2 2s 2 2p 3 3s 1 ) 5 S Ar 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5030.
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 | 14.187597 | .19973791 |
| 2 | 2s | 5.521193 | -.99215148 |
| 3 | 3s | 4.165393 | 1.51935422 |
| 4 | 4s | 12.720991 | -.03096510 |
| 5 | 5s | 22.248864 | -.00391016 |
| 6 | 2s | 76.745333 | .00001389 |
| 7 | 4s | 81.922792 | .00001713 |
| 8 | 5s | 4.262113 | .00221900 |
| ORB.ENERGY,a.u. | -8.492600 | ||
| NORM | 1.000000 | < R > | .982823 | < R2 > | 1.097600 | < 1/R > | 1.474663 | < 1/R**2 > | 13.329962 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.239143 | 1.26051996 |
| 2 | 3p | 9.267962 | -.31985773 |
| 3 | 4p | 11.466929 | .05885263 |
| 4 | 5p | 6.685373 | .00648756 |
| 5 | 4p | 29.076294 | -.00169638 |
| 6 | 3p | 35.942637 | -.00032160 |
| 7 | 4p | 8.064869 | -.00526851 |
| ORB.ENERGY,a.u. | -21.655000 | ||
| NORM | 1.000000 | < R > | .337872 | < R2 > | .138857 | < 1/R > | 3.760721 | < 1/R**2 > | 19.244502 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.881889 | .43486006 |
| 2 | 2s | 8.003344 | -.88556500 |
| 3 | 3s | 7.464896 | -.29981603 |
| 4 | 4s | 30.167577 | .00231737 |
| 5 | 4s | 3.607887 | -.00180916 |
| 6 | 3s | 15.166252 | .02356157 |
| 7 | 5s | 5.723897 | -.01175609 |
| 8 | 3s | 36.590710 | .00013549 |
| ORB.ENERGY,a.u. | -21.808000 | ||
| NORM | 1.000000 | < R > | .388699 | < R2 > | .177836 | < 1/R > | 3.783197 | < 1/R**2 > | 58.305786 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.187244 | .94359429 |
| 2 | 1s | 26.768484 | .05342123 |
| 3 | 2s | 15.266278 | .01925172 |
| 4 | 3s | 21.206546 | -.01452186 |
| 5 | 4s | 31.683394 | .00227349 |
| 6 | 5s | 54.966894 | .00019430 |
| 7 | 5s | 11.288077 | .00013749 |
| 8 | 4s | 4.627801 | .00066859 |
| ORB.ENERGY,a.u. | -130.480000 |
| NORM | 1.000000 | < R > | .085704 | < R2 > | .009847 | < 1/R > | 17.605098 | < 1/R**2 > | 623.968195 |
Total Energy= -461.58513922 a.u.
Kinetic Energy= 461.64721913 a.u.
Potential Energy= -923.23235835 a.u.
Virial Ratio = -1.99986553