(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 3 D Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3251.
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 | 5p- electron | |
| 1 | 3p | 1.003748 | -1.75559528 |
| 2 | 4p | 1.283275 | 2.84101663 |
| 3 | 5p | .958190 | -1.47185635 |
| 4 | 3p | 2.664808 | -.26107207 |
| 5 | 2p | 11.282869 | .01530974 |
| 6 | 2p | 5.549374 | .09610162 |
| 7 | 4p | 15.158124 | .00179465 |
| 8 | 2p | .422504 | .08003630 |
| 9 | 3p | .403170 | -.02033473 |
| ORB.ENERGY,a.u. | -.458670 | ||
| NORM | 1.000000 | < R > | 6.378129 | < R2 > | 45.500707 | < 1/R > | .213593 | < 1/R**2 > | .167295 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.045510 | .36246942 |
| 2 | 2p | 1.817369 | -.41392214 |
| 3 | 3p | 2.559028 | -.70926707 |
| 4 | 2p | 9.737570 | .09457432 |
| 5 | 3p | 16.445095 | -.00270859 |
| 6 | 4p | 1.705822 | .01154536 |
| 7 | 5p | 46.441397 | -.00005049 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.455322 | < R2 > | 2.435709 | < 1/R > | .920757 | < 1/R**2 > | 1.864639 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.386263 | -.35601775 |
| 2 | 1s | 12.221930 | .20715647 |
| 3 | 1s | 61.211866 | .00009574 |
| 4 | 2s | 5.547355 | -.24114487 |
| 5 | 3s | 2.818044 | 1.05834335 |
| 6 | 4s | 4.772207 | .07741764 |
| 7 | 3s | 36.352280 | -.00058753 |
| 8 | 5s | 2.718982 | .07270572 |
| 9 | 2s | .298034 | -.00016385 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.370552 | < R2 > | 2.137314 | < 1/R > | .995130 | < 1/R**2 > | 5.807831 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.786340 | .43120187 |
| 2 | 3p | 7.644048 | .51128779 |
| 3 | 5p | 4.444228 | .00562620 |
| 4 | 4p | 6.168334 | .15885839 |
| 5 | 2p | 24.267667 | .00158691 |
| 6 | 5p | 32.414766 | -.00015876 |
| 7 | 3p | 49.016972 | .00002996 |
| 8 | 3p | .424260 | .00012724 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404197 | < R2 > | .202502 | < 1/R > | 3.210214 | < 1/R**2 > | 14.343852 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.735902 | .37721010 |
| 2 | 2s | 6.941077 | -.76948552 |
| 3 | 3s | 6.359684 | -.16290532 |
| 4 | 4s | 27.729642 | .00179036 |
| 5 | 2s | 4.984488 | -.19720076 |
| 6 | 3s | 17.442159 | .00697173 |
| 7 | 4s | 3.003272 | -.00016663 |
| 8 | 5s | 49.989457 | .00003365 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .439861 | < R2 > | .228980 | < 1/R > | 3.327395 | < 1/R**2 > | 45.530219 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579112 | 1.01106996 |
| 2 | 2s | 20.627319 | -.01843000 |
| 3 | 3s | 15.108616 | .01701361 |
| 4 | 4s | 61.800202 | -.00038795 |
| 5 | 4s | 8.431062 | .00131857 |
| 6 | 5s | 79.848755 | .00010949 |
| 7 | 5s | 8.671133 | -.00052744 |
| 8 | 2s | 28.526219 | -.00343289 |
| 9 | 2s | 157.315415 | .00000253 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091274 | < R2 > | .011194 | < 1/R > | 16.562217 | < 1/R**2 > | 553.109540 |
Total Energy= -455.31584554 a.u.
Kinetic Energy= 455.32019526 a.u.
Potential Energy= -910.63604079 a.u.
Virial Ratio = -1.99999045