(1s 2 2s 2 2p 6 3s 1 3p 1 ) 1 P Cl 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 5.344763 | .37627059 |
| 2 | 2p | 2.115885 | -.31380310 |
| 3 | 3p | 2.492256 | -.79657311 |
| 4 | 2p | 10.243614 | .07698340 |
| 5 | 3p | 19.694002 | -.00138735 |
| 6 | 4p | 64.162709 | .00001162 |
| ORB.ENERGY,a.u. | -2.795000 | ||
| NORM | 1.000000 | < R > | 1.429171 | < R2 > | 2.349925 | < 1/R > | .942396 | < 1/R**2 > | 1.963541 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.518821 | -.02786090 |
| 2 | 1s | 2.486474 | .08630802 |
| 3 | 1s | 13.860354 | .13203599 |
| 4 | 2s | 5.802534 | -.54508642 |
| 5 | 3s | 2.694797 | .86350963 |
| 6 | 4s | 3.901941 | .23665024 |
| 7 | 5s | 18.650247 | -.00509134 |
| 8 | 4s | 36.686045 | .00010084 |
| 9 | 3s | .745941 | .00014815 |
| ORB.ENERGY,a.u. | -3.489900 | ||
| NORM | 1.000000 | < R > | 1.325746 | < R2 > | 1.998526 | < 1/R > | 1.041231 | < 1/R**2 > | 6.502045 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.652509 | .44086935 |
| 2 | 3p | 7.646075 | .49122076 |
| 3 | 5p | 5.300348 | .00989191 |
| 4 | 4p | 6.347730 | .15936371 |
| 5 | 2p | 21.187802 | .00319158 |
| 6 | 5p | 40.371341 | -.00014061 |
| 7 | 3p | 14.803921 | .00111400 |
| 8 | 3p | 2.519597 | .00129712 |
| 9 | 3p | 82.569989 | .00000110 |
| ORB.ENERGY,a.u. | -10.990000 | ||
| NORM | 1.000000 | < R > | .403001 | < R2 > | .201111 | < 1/R > | 3.217269 | < 1/R**2 > | 14.398233 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 4s | 28.567526 | .00168907 |
| 2 | 3s | 16.648923 | .00899618 |
| 3 | 2s | 2.544818 | -.02361221 |
| 4 | 4s | 3.268062 | .00752081 |
| 5 | 5s | 15.209177 | .00031366 |
| 6 | 1s | 13.680767 | .37906994 |
| 7 | 2s | 7.046310 | -.83519159 |
| 8 | 3s | 6.211391 | -.29503512 |
| ORB.ENERGY,a.u. | -13.632000 | ||
| NORM | 1.000000 | < R > | .440543 | < R2 > | .229886 | < 1/R > | 3.323387 | < 1/R**2 > | 45.434580 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578962 | 1.01109116 |
| 2 | 2s | 20.617074 | -.01844752 |
| 3 | 3s | 15.102885 | .01702053 |
| 4 | 4s | 59.742325 | -.00038978 |
| 5 | 4s | 8.418790 | .00136577 |
| 6 | 5s | 75.603778 | .00010666 |
| 7 | 5s | 8.728703 | -.00053178 |
| 8 | 2s | 28.624971 | -.00343672 |
| 9 | 2s | 143.636451 | .00000373 |
| 10 | 3s | 2.834631 | -.00014516 |
| ORB.ENERGY,a.u. | -107.620000 |
| NORM | 1.000000 | < R > | .091275 | < R2 > | .011194 | < 1/R > | 16.562235 | < 1/R**2 > | 553.114010 |
Total Energy= -451.94337353 a.u.
Kinetic Energy= 451.72391955 a.u.
Potential Energy= -903.66729308 a.u.
Virial Ratio = -2.00048581