(1s 2 2s 2 2p 2 3p 1 ) 4 D Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4231.
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 | 3p- electron | |
| 1 | 2p | 5.793479 | .73550531 |
| 2 | 3p | 3.843183 | -1.32854062 |
| 3 | 2p | 14.381737 | .02330149 |
| 4 | 4p | 9.189269 | -.05971935 |
| 5 | 5p | 21.885317 | .00194953 |
| 6 | 5p | 3.996983 | .03695524 |
| ORB.ENERGY,a.u. | -7.698700 | ||
| NORM | 1.000000 | < R > | .995353 | < R2 > | 1.136310 | < 1/R > | 1.378052 | < 1/R**2 > | 3.958626 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.669394 | 1.22799424 |
| 2 | 3p | 7.597403 | -.23574372 |
| 3 | 2p | 19.099568 | .00987382 |
| 4 | 4p | 13.949457 | -.00180306 |
| 5 | 5p | 14.837515 | -.00779214 |
| 6 | 5p | 4.469886 | .00150160 |
| 7 | 4p | 61.103539 | .00003922 |
| ORB.ENERGY,a.u. | -65.237000 | ||
| NORM | 1.000000 | < R > | .352617 | < R2 > | .151006 | < 1/R > | 3.595953 | < 1/R**2 > | 17.550246 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.346702 | .42855691 |
| 2 | 2s | 7.465407 | -.86841058 |
| 3 | 3s | 7.599095 | -.28585141 |
| 4 | 4s | 28.850320 | .00195531 |
| 5 | 3s | 15.530605 | .01747960 |
| 6 | 5s | 7.311523 | -.02093557 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .405498 | < R2 > | .192753 | < 1/R > | 3.621447 | < 1/R**2 > | 53.222565 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.056805 | .92201414 |
| 2 | 1s | 24.205828 | .07679071 |
| 3 | 2s | 15.031556 | .01930900 |
| 4 | 3s | 18.658973 | -.01558902 |
| 5 | 5s | 40.240756 | .00078662 |
| 6 | 4s | 92.762370 | -.00003672 |
| 7 | 5s | 14.055298 | .00034428 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090761 | < R2 > | .011040 | < 1/R > | 16.621277 | < 1/R**2 > | 556.167533 |
Total Energy= -388.76114452 a.u.
Kinetic Energy= 388.85237512 a.u.
Potential Energy= -777.61351964 a.u.
Virial Ratio = -1.99976538