(1s 2 2s 2 2p 6 3s 2 3p 4 ) 1 S Cl +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 4p | 9.084178 | -.04321889 |
| 2 | 5p | 38.429469 | -.00011813 |
| 3 | 5p | 1.298008 | -.00284618 |
| 4 | 3p | 29.688791 | -.00011532 |
| 5 | 2p | 5.480653 | .39594761 |
| 6 | 2p | 1.440884 | -.86869418 |
| 7 | 3p | 2.713854 | -.21652871 |
| 8 | 2p | 13.324277 | .01999945 |
| ORB.ENERGY,a.u. | -.662190 | ||
| NORM | 1.000000 | < R > | 1.731799 | < R2 > | 3.539659 | < 1/R > | .777583 | < 1/R**2 > | 1.352017 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 7.042015 | -.08256033 |
| 2 | 1s | 12.749046 | .16561000 |
| 3 | 2s | 5.627843 | -.38643194 |
| 4 | 3s | 2.430201 | .86087689 |
| 5 | 4s | 4.313981 | .17498606 |
| 6 | 3s | 18.656795 | .00337121 |
| 7 | 5s | 2.158811 | .09109947 |
| 8 | 4s | 55.389366 | -.00005682 |
| ORB.ENERGY,a.u. | -1.507900 | ||
| NORM | 1.000000 | < R > | 1.503952 | < R2 > | 2.609072 | < 1/R > | .903584 | < 1/R**2 > | 4.740455 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.348433 | .46736767 |
| 2 | 3p | 7.252213 | .50979494 |
| 3 | 4p | 5.771116 | .11627613 |
| 4 | 5p | 3.663643 | .00424962 |
| 5 | 2p | 16.288597 | .00789446 |
| 6 | 5p | 39.828813 | -.00014653 |
| 7 | 3p | 19.952183 | -.00179466 |
| 8 | 4p | 1.791694 | .00129626 |
| 9 | 4p | 121.155373 | .00000150 |
| ORB.ENERGY,a.u. | -8.413200 | ||
| NORM | 1.000000 | < R > | .405941 | < R2 > | .204676 | < 1/R > | 3.200792 | < 1/R**2 > | 14.273553 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.759597 | .37500839 |
| 2 | 2s | 6.933501 | -.76889825 |
| 3 | 3s | 6.433769 | -.16160387 |
| 4 | 4s | 28.193107 | .00172918 |
| 5 | 2s | 4.832672 | -.19791124 |
| 6 | 3s | 17.503813 | .00675903 |
| 7 | 5s | 3.493745 | -.00111716 |
| 8 | 4s | 1.934318 | -.00014885 |
| ORB.ENERGY,a.u. | -10.912000 | ||
| NORM | 1.000000 | < R > | .441446 | < R2 > | .230872 | < 1/R > | 3.316281 | < 1/R**2 > | 45.254623 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577521 | 1.01110038 |
| 2 | 2s | 20.727017 | -.01846829 |
| 3 | 3s | 15.037284 | .01709867 |
| 4 | 4s | 61.786785 | -.00038482 |
| 5 | 4s | 8.094718 | .00128301 |
| 6 | 5s | 79.662759 | .00011118 |
| 7 | 5s | 8.203282 | -.00057912 |
| 8 | 2s | 28.410973 | -.00339040 |
| 9 | 2s | 155.292538 | .00000251 |
| 10 | 3s | 2.015789 | -.00001985 |
| ORB.ENERGY,a.u. | -104.700000 |
| NORM | 1.000000 | < R > | .091292 | < R2 > | .011199 | < 1/R > | 16.560058 | < 1/R**2 > | 552.998159 |
Total Energy= -459.04699364 a.u.
Kinetic Energy= 458.88925145 a.u.
Potential Energy= -917.93624509 a.u.
Virial Ratio = -2.00034375