(1s 2 2s 2 2p 5 3d 1 ) 3 D Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 2.787129 | 1.11626313 |
| 2 | 3d | 7.016235 | .04733898 |
| 3 | 4d | 3.358286 | -.14066660 |
| 4 | 5d | 10.193704 | -.00282749 |
| 5 | 4d | 43.036424 | .00002356 |
| 6 | 5d | 1.499872 | .00017584 |
| ORB.ENERGY,a.u. | -3.705700 | ||
| NORM | 1.000000 | < R > | 1.217870 | < R2 > | 1.717484 | < 1/R > | .977470 | < 1/R**2 > | 1.183047 |
| 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 | 13.613787 | .39092104 |
| 2 | 2s | 7.169730 | -.84144620 |
| 3 | 3s | 6.469748 | -.30514351 |
| 4 | 4s | 18.888807 | .00518533 |
| 5 | 3s | 20.787586 | .00665077 |
| 6 | 5s | 36.444435 | .00044332 |
| 7 | 5s | 5.507206 | -.00641182 |
| 8 | 4s | 3.940761 | .00299434 |
| 9 | 3s | 2.796927 | -.00102157 |
| 10 | 2s | 72.684624 | .00001491 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .430275 | < R2 > | .218416 | < 1/R > | 3.402779 | < 1/R**2 > | 47.447983 |
| 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= -435.74713499 a.u.
Kinetic Energy= 435.71180725 a.u.
Potential Energy= -871.45894224 a.u.
Virial Ratio = -2.00008108