(1s 2 2s 2 2p 5 3d 1 ) 1 D Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 3d- electron | |
| 1 | 3d | 2.825560 | 1.13817012 |
| 2 | 3d | 7.454152 | .03641523 |
| 3 | 4d | 3.565895 | -.15945268 |
| 4 | 4d | 44.625110 | .00001651 |
| 5 | 5d | 18.628831 | .00007802 |
| 6 | 5d | 2.396012 | .00472055 |
| ORB.ENERGY,a.u. | -3.705700 | ||
| NORM | 1.000000 | < R > | 1.217868 | < R2 > | 1.717478 | < 1/R > | .977471 | < 1/R**2 > | 1.183048 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.793419 | 1.20322774 |
| 2 | 3p | 6.755398 | -.27786877 |
| 3 | 2p | 12.856887 | .07224965 |
| 4 | 4p | 15.581764 | .01014082 |
| 5 | 5p | 4.411325 | .00115271 |
| 6 | 5p | 40.142255 | -.00013044 |
| ORB.ENERGY,a.u. | -13.570000 | ||
| NORM | 1.000000 | < R > | .388066 | < R2 > | .185295 | < 1/R > | 3.318201 | < 1/R**2 > | 15.205306 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.570656 | .39278943 |
| 2 | 2s | 7.185488 | -.84327719 |
| 3 | 3s | 6.463424 | -.30579690 |
| 4 | 4s | 17.860675 | .00459550 |
| 5 | 3s | 18.743868 | .00695356 |
| 6 | 5s | 34.466945 | .00110000 |
| 7 | 5s | 5.938813 | -.00472683 |
| 8 | 4s | 41.420317 | .00029159 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .430275 | < R2 > | .218416 | < 1/R > | 3.402779 | < 1/R**2 > | 47.447997 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.184223 | .92695897 |
| 2 | 1s | 23.720088 | .06885045 |
| 3 | 2s | 10.148623 | .02128994 |
| 4 | 3s | 12.572042 | -.02158869 |
| 5 | 4s | 15.577854 | .01060915 |
| 6 | 5s | 40.870014 | .00070703 |
| 7 | 4s | 91.886343 | -.00003347 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091149 | < R2 > | .011156 | < 1/R > | 16.576694 | < 1/R**2 > | 553.862931 |
Total Energy= -435.74713511 a.u.
Kinetic Energy= 435.71181061 a.u.
Potential Energy= -871.45894572 a.u.
Virial Ratio = -2.00008107