(1s 2 2s 2 2p 5 4p 1 ) 3 S Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3041.
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 | 4p- electron | |
| 1 | 2p | 8.123740 | .19912404 |
| 2 | 3p | 1.547361 | 2.53199091 |
| 3 | 4p | 3.380405 | -1.37516926 |
| 4 | 5p | 6.038284 | -.15926172 |
| 5 | 3p | 19.297261 | -.00214569 |
| 6 | 5p | 1.782425 | -.81009845 |
| 7 | 4p | 61.626802 | .00002220 |
| 8 | 5p | 21.069658 | -.00116584 |
| 9 | 4p | .244701 | -.00663595 |
| 10 | 5p | .305717 | .00634526 |
| ORB.ENERGY,a.u. | -2.397100 | ||
| NORM | 1.000000 | < R > | 2.401181 | < R2 > | 6.522445 | < 1/R > | .590679 | < 1/R**2 > | 1.035898 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.878160 | 1.18566678 |
| 2 | 3p | 6.934998 | -.25304201 |
| 3 | 2p | 13.111457 | .06550530 |
| 4 | 4p | 15.838268 | .01059262 |
| 5 | 4p | 3.857238 | .00168356 |
| 6 | 5p | 2.437560 | -.00157809 |
| 7 | 4p | 68.470445 | .00001998 |
| ORB.ENERGY,a.u. | -14.141000 | ||
| NORM | 1.000000 | < R > | .387457 | < R2 > | .184524 | < 1/R > | 3.320902 | < 1/R**2 > | 15.222320 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.583443 | .39257151 |
| 2 | 2s | 7.177480 | -.84202083 |
| 3 | 3s | 6.548084 | -.30368300 |
| 4 | 4s | 12.147654 | .00181891 |
| 5 | 3s | 16.888810 | .01151524 |
| 6 | 5s | 36.107690 | .00073739 |
| 7 | 5s | 6.591501 | -.00856530 |
| 8 | 4s | 2.255769 | .00017770 |
| 9 | 3s | 68.169488 | -.00002940 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .429744 | < R2 > | .217751 | < 1/R > | 3.406045 | < 1/R**2 > | 47.526707 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.183074 | .92715516 |
| 2 | 1s | 23.741037 | .06866439 |
| 3 | 2s | 10.159300 | .02130069 |
| 4 | 3s | 12.546182 | -.02162957 |
| 5 | 4s | 15.515567 | .01069693 |
| 6 | 5s | 40.683227 | .00066564 |
| 7 | 4s | 89.839553 | -.00003814 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091158 | < R2 > | .011159 | < 1/R > | 16.575464 | < 1/R**2 > | 553.797788 |
Total Energy= -434.36447702 a.u.
Kinetic Energy= 434.40093429 a.u.
Potential Energy= -868.76541131 a.u.
Virial Ratio = -1.99991607