(1s 2 2s 2 2p 5 3d 1 ) 3 P Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3132.
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 | 2.891389 | 1.15709555 |
| 2 | 3d | 7.292145 | .04148137 |
| 3 | 4d | 45.009168 | .00001886 |
| 4 | 4d | 3.599047 | -.18457223 |
| 5 | 5d | 11.093075 | -.00046941 |
| 6 | 5d | 2.561997 | .00768006 |
| ORB.ENERGY,a.u. | -3.795900 | ||
| NORM | 1.000000 | < R > | 1.184660 | < R2 > | 1.628237 | < 1/R > | 1.006883 | < 1/R**2 > | 1.257278 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 4p | 15.537818 | .01023931 |
| 2 | 5p | 4.407821 | .00112331 |
| 3 | 5p | 40.397782 | -.00012940 |
| 4 | 2p | 5.787095 | 1.20352769 |
| 5 | 3p | 6.755554 | -.27852713 |
| 6 | 2p | 12.838261 | .07267715 |
| ORB.ENERGY,a.u. | -13.660000 | ||
| NORM | 1.000000 | < R > | .388448 | < R2 > | .185693 | < 1/R > | 3.315602 | < 1/R**2 > | 15.184670 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.610137 | .39102525 |
| 2 | 2s | 7.171529 | -.84158554 |
| 3 | 3s | 6.465637 | -.30520436 |
| 4 | 4s | 18.856761 | .00520903 |
| 5 | 3s | 20.757668 | .00667145 |
| 6 | 5s | 36.426429 | .00045151 |
| 7 | 5s | 5.540737 | -.00625362 |
| 8 | 4s | 3.908156 | .00271367 |
| 9 | 3s | 2.792984 | -.00099347 |
| 10 | 2s | 73.741407 | .00001407 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .430344 | < R2 > | .218497 | < 1/R > | 3.402302 | < 1/R**2 > | 47.435863 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.184420 | .92695354 |
| 2 | 1s | 23.719039 | .06885393 |
| 3 | 2s | 10.152291 | .02128317 |
| 4 | 3s | 12.575267 | -.02158335 |
| 5 | 4s | 15.579887 | .01060665 |
| 6 | 5s | 40.916199 | .00070882 |
| 7 | 4s | 91.764168 | -.00003336 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091147 | < R2 > | .011155 | < 1/R > | 16.576859 | < 1/R**2 > | 553.871702 |
Total Energy= -435.74561992 a.u.
Kinetic Energy= 435.80213937 a.u.
Potential Energy= -871.54775929 a.u.
Virial Ratio = -1.99987031