(1s 2 2s 2 2p 5 4p 1 ) 3 S Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3041.
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 | 8.701049 | .20562490 |
| 2 | 3p | 1.740993 | 2.50878180 |
| 3 | 4p | 3.741838 | -1.42473407 |
| 4 | 5p | 6.634242 | -.15245737 |
| 5 | 3p | 20.284860 | -.00189500 |
| 6 | 5p | 1.976581 | -.76492031 |
| 7 | 4p | 69.268498 | .00001365 |
| 8 | 5p | 23.451585 | -.00064324 |
| 9 | 4p | 1.165200 | .03357064 |
| 10 | 5p | 1.176522 | -.01648950 |
| ORB.ENERGY,a.u. | -2.990200 | ||
| NORM | 1.000000 | < R > | 2.166268 | < R2 > | 5.308999 | < 1/R > | .655730 | < 1/R**2 > | 1.266588 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.384797 | 1.17003807 |
| 2 | 3p | 7.525587 | -.23318675 |
| 3 | 2p | 14.004696 | .06165572 |
| 4 | 4p | 4.333932 | .00163531 |
| 5 | 5p | 2.691843 | -.00143897 |
| 6 | 4p | 17.016444 | .00947693 |
| 7 | 4p | 71.146964 | .00002105 |
| ORB.ENERGY,a.u. | -16.988000 | ||
| NORM | 1.000000 | < R > | .359291 | < R2 > | .158362 | < 1/R > | 3.573084 | < 1/R**2 > | 17.575922 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.297882 | .40170863 |
| 2 | 2s | 7.701421 | -.84537257 |
| 3 | 3s | 7.134017 | -.30505913 |
| 4 | 4s | 13.131626 | .00408044 |
| 5 | 3s | 17.656564 | .01197790 |
| 6 | 5s | 38.552926 | .00071842 |
| 7 | 5s | 7.257433 | -.01232907 |
| 8 | 4s | 2.425368 | .00016451 |
| 9 | 3s | 74.758040 | -.00002586 |
| ORB.ENERGY,a.u. | -18.309000 | ||
| NORM | 1.000000 | < R > | .401000 | < R2 > | .189408 | < 1/R > | 3.654650 | < 1/R**2 > | 54.666759 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.189875 | .93074356 |
| 2 | 1s | 25.200030 | .06462030 |
| 3 | 2s | 10.871416 | .02186069 |
| 4 | 3s | 13.366980 | -.02200687 |
| 5 | 4s | 16.550207 | .01074198 |
| 6 | 5s | 42.845547 | .00064600 |
| 7 | 4s | 96.043899 | -.00003620 |
| ORB.ENERGY,a.u. | -124.690000 |
| NORM | 1.000000 | < R > | .085963 | < R2 > | .009920 | < 1/R > | 17.571607 | < 1/R**2 > | 622.138332 |
Total Energy= -493.42559969 a.u.
Kinetic Energy= 493.46696211 a.u.
Potential Energy= -986.89256180 a.u.
Virial Ratio = -1.99991618