(1s 2 2s 1 2p 1 ) 1 P Cl 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1121.
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 | 2p- electron | |
| 1 | 2p | 7.388757 | .97462191 |
| 2 | 2p | 10.706892 | .04235746 |
| 3 | 2p | 22.468612 | .00402429 |
| 4 | 3p | 6.068764 | .01514811 |
| 5 | 4p | 11.909179 | -.02836605 |
| 6 | 5p | 41.727383 | -.00020587 |
| 7 | 5p | 5.656760 | -.00075204 |
| ORB.ENERGY,a.u. | -25.600000 | ||
| NORM | 1.000000 | < R > | .333997 | < R2 > | .134863 | < 1/R > | 3.777027 | < 1/R**2 > | 19.241722 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.354276 | .40275137 |
| 2 | 2s | 6.834589 | -.82195760 |
| 3 | 3s | 9.327117 | -.29304024 |
| 4 | 4s | 26.691300 | .00651518 |
| 5 | 5s | 33.194732 | -.00161266 |
| 6 | 5s | 6.931689 | .00860888 |
| 7 | 3s | 49.102952 | .00010122 |
| 8 | 4s | 4.713131 | -.00077105 |
| ORB.ENERGY,a.u. | -26.760000 | ||
| NORM | 1.000000 | < R > | .392009 | < R2 > | .179645 | < 1/R > | 3.774637 | < 1/R**2 > | 57.961515 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.375102 | .93452558 |
| 2 | 1s | 24.736913 | .05359814 |
| 3 | 2s | 17.883294 | .01583721 |
| 4 | 3s | 7.973215 | .00238976 |
| 5 | 4s | 60.782449 | -.00026133 |
| 6 | 5s | 16.694568 | .00203506 |
| 7 | 3s | 83.183691 | -.00004891 |
| ORB.ENERGY,a.u. | -128.100000 |
| NORM | 1.000000 | < R > | .090715 | < R2 > | .011036 | < 1/R > | 16.632235 | < 1/R**2 > | 556.836056 |
Total Energy= -334.35236721 a.u.
Kinetic Energy= 333.65757035 a.u.
Potential Energy= -668.00993756 a.u.
Virial Ratio = -2.00208237