(1s 2 2s 2 2p 1 4p 1 ) 3 D Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3241.
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 | 4p- electron | |
| 1 | 2p | 7.523504 | .34561255 |
| 2 | 3p | 3.417508 | -.88474670 |
| 3 | 5p | 3.435033 | 1.36131072 |
| 4 | 4p | 4.933216 | -.37408875 |
| 5 | 5p | 9.425852 | .03897416 |
| 6 | 4p | 22.341482 | -.00305784 |
| 7 | 5p | 3.012291 | .24748134 |
| 8 | 5p | 48.492759 | -.00037931 |
| 9 | 4p | 73.970614 | -.00007824 |
| ORB.ENERGY,a.u. | -4.837000 | ||
| NORM | 1.000000 | < R > | 1.786834 | < R2 > | 3.613458 | < 1/R > | .795949 | < 1/R**2 > | 1.750397 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.149460 | 1.08786942 |
| 2 | 3p | 8.826976 | -.10558122 |
| 3 | 2p | 17.133524 | .01182497 |
| 4 | 5p | 22.761635 | .00285569 |
| 5 | 5p | 15.146398 | .00532670 |
| 6 | 5p | 6.358515 | .00063993 |
| ORB.ENERGY,a.u. | -23.399000 | ||
| NORM | 1.000000 | < R > | .341934 | < R2 > | .141378 | < 1/R > | 3.691515 | < 1/R**2 > | 18.405551 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.558799 | .38518417 |
| 2 | 2s | 6.578854 | -.81434930 |
| 3 | 3s | 9.424128 | -.28542648 |
| 4 | 4s | 31.429489 | .00135381 |
| 5 | 5s | 18.133183 | -.00853236 |
| 6 | 5s | 7.220051 | .01556601 |
| 7 | 4s | 3.228884 | .00023397 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .396451 | < R2 > | .183822 | < 1/R > | 3.708872 | < 1/R**2 > | 55.598439 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.191023 | .93680789 |
| 2 | 1s | 24.968667 | .06029501 |
| 3 | 2s | 15.104716 | .02018036 |
| 4 | 3s | 18.485451 | -.01485103 |
| 5 | 4s | 83.812248 | -.00005893 |
| 6 | 5s | 38.938030 | .00070783 |
| 7 | 5s | 9.769358 | .00002985 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090564 | < R2 > | .010982 | < 1/R > | 16.644819 | < 1/R**2 > | 557.397520 |
Total Energy= -364.22797334 a.u.
Kinetic Energy= 364.25450139 a.u.
Potential Energy= -728.48247473 a.u.
Virial Ratio = -1.99992717