(1s 2 2s 2 2p 2 3p 1 ) 4 S Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4031.
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 | 5.124439 | .75883362 |
| 2 | 3p | 3.862527 | -1.44740155 |
| 3 | 2p | 13.864777 | .02429824 |
| 4 | 4p | 9.021603 | -.04202145 |
| 5 | 5p | 21.975046 | .00139771 |
| 6 | 5p | 5.273585 | .01599375 |
| 7 | 4p | 3.642150 | .01860852 |
| ORB.ENERGY,a.u. | -7.545100 | ||
| NORM | 1.000000 | < R > | 1.035262 | < R2 > | 1.207464 | < 1/R > | 1.239009 | < 1/R**2 > | 2.938146 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.749343 | 1.36240948 |
| 2 | 3p | 8.629177 | -.39116349 |
| 3 | 2p | 3.566436 | -.08130242 |
| 4 | 4p | 10.847908 | .09021235 |
| 5 | 5p | 21.081407 | .00407569 |
| 6 | 3p | 3.221099 | -.02038491 |
| 7 | 4p | 2.795020 | .00251372 |
| 8 | 3p | 27.460603 | -.00015445 |
| ORB.ENERGY,a.u. | -20.397000 | ||
| NORM | 1.000000 | < R > | .343450 | < R2 > | .141644 | < 1/R > | 3.655706 | < 1/R**2 > | 18.006312 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.349857 | .42849240 |
| 2 | 2s | 7.463144 | -.86837519 |
| 3 | 3s | 7.601351 | -.28608906 |
| 4 | 4s | 28.900585 | .00199374 |
| 5 | 3s | 15.482554 | .01741320 |
| 6 | 5s | 7.317457 | -.02035239 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .405397 | < R2 > | .192641 | < 1/R > | 3.622233 | < 1/R**2 > | 53.243067 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.057108 | .92200553 |
| 2 | 1s | 24.204858 | .07679092 |
| 3 | 2s | 15.034277 | .01930743 |
| 4 | 3s | 18.647067 | -.01559331 |
| 5 | 5s | 40.210812 | .00078314 |
| 6 | 4s | 92.574701 | -.00003718 |
| 7 | 5s | 14.250858 | .00037107 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090761 | < R2 > | .011039 | < 1/R > | 16.621415 | < 1/R**2 > | 556.175594 |
Total Energy= -388.74753130 a.u.
Kinetic Energy= 388.69981446 a.u.
Potential Energy= -777.44734576 a.u.
Virial Ratio = -2.00012276