(1s 2 2s 2 2p 5 3p 1 ) 3 D Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3231.
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 | 5.322826 | .56987829 |
| 2 | 3p | 3.055447 | -1.17179231 |
| 3 | 4p | 8.282645 | -.08056338 |
| 4 | 2p | 13.433004 | .03329979 |
| 5 | 5p | 21.599038 | .00384241 |
| 6 | 4p | 34.973460 | .00083939 |
| 7 | 5p | 2.891504 | .00724105 |
| 8 | 5p | 50.682728 | -.00022405 |
| 9 | 3p | 1.744097 | -.00159085 |
| ORB.ENERGY,a.u. | -4.530700 | ||
| NORM | 1.000000 | < R > | 1.225097 | < R2 > | 1.719690 | < 1/R > | 1.110687 | < 1/R**2 > | 2.674730 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.750064 | 1.20752367 |
| 2 | 3p | 6.646369 | -.28555484 |
| 3 | 2p | 12.801779 | .07512291 |
| 4 | 4p | 15.659921 | .01011372 |
| 5 | 5p | 3.810970 | .00133069 |
| 6 | 5p | 39.110440 | -.00013658 |
| ORB.ENERGY,a.u. | -13.650000 | ||
| NORM | 1.000000 | < R > | .388449 | < R2 > | .185674 | < 1/R > | 3.314986 | < 1/R**2 > | 15.176579 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.629611 | .38984320 |
| 2 | 2s | 7.156855 | -.84083110 |
| 3 | 3s | 6.479359 | -.30453478 |
| 4 | 4s | 18.234990 | .00481879 |
| 5 | 3s | 20.266085 | .00738428 |
| 6 | 5s | 36.091269 | .00044907 |
| 7 | 5s | 5.447441 | -.00689599 |
| 8 | 4s | 3.814425 | .00314273 |
| 9 | 3s | 2.784696 | -.00139787 |
| 10 | 2s | 70.640013 | .00001719 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .430645 | < R2 > | .218793 | < 1/R > | 3.399424 | < 1/R**2 > | 47.360382 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.184625 | .92710994 |
| 2 | 1s | 23.756377 | .06850288 |
| 3 | 2s | 10.348593 | .02108664 |
| 4 | 3s | 12.779366 | -.02107091 |
| 5 | 4s | 15.726195 | .01063130 |
| 6 | 5s | 40.640053 | .00069798 |
| 7 | 4s | 91.919220 | -.00003558 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091170 | < R2 > | .011162 | < 1/R > | 16.574051 | < 1/R**2 > | 553.723780 |
Total Energy= -436.50337557 a.u.
Kinetic Energy= 436.53239065 a.u.
Potential Energy= -873.03576623 a.u.
Virial Ratio = -1.99993353