(1s 2 2s 2 2p 4 5p 1 ) 2 S Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2051.
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 | 5p- electron | |
| 1 | 2p | 4.584943 | .26112138 |
| 2 | 3p | 2.295824 | -2.69723174 |
| 3 | 4p | 2.103463 | 5.45200028 |
| 4 | 5p | 1.885376 | -3.58123258 |
| 5 | 2p | 9.917164 | .05258141 |
| 6 | 5p | 16.186249 | .00136671 |
| 7 | 4p | 35.921108 | -.00015170 |
| ORB.ENERGY,a.u. | -1.794200 | ||
| NORM | 1.000000 | < R > | 3.662527 | < R2 > | 15.084001 | < 1/R > | .392990 | < 1/R**2 > | .558466 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.073145 | 1.16284102 |
| 2 | 3p | 6.912441 | -.22826504 |
| 3 | 2p | 13.407801 | .06088520 |
| 4 | 4p | 16.450883 | .01198950 |
| 5 | 5p | 3.171234 | .00838869 |
| 6 | 5p | 23.723196 | -.00079599 |
| 7 | 4p | 67.818045 | .00003036 |
| 8 | 4p | 2.800661 | -.00867997 |
| 9 | 3p | 1.190204 | -.00065318 |
| ORB.ENERGY,a.u. | -16.285000 | ||
| NORM | 1.000000 | < R > | .374084 | < R2 > | .171088 | < 1/R > | 3.418495 | < 1/R**2 > | 16.022027 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.513456 | .40443114 |
| 2 | 2s | 7.278266 | -.85505886 |
| 3 | 3s | 6.765458 | -.30004111 |
| 4 | 4s | 17.723554 | .00655793 |
| 5 | 3s | 20.268814 | .00859637 |
| 6 | 5s | 35.492731 | .00046657 |
| 7 | 5s | 5.867332 | -.00450618 |
| 8 | 4s | 4.481548 | .00182344 |
| 9 | 2s | 66.009032 | .00002506 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .420743 | < R2 > | .208202 | < 1/R > | 3.481860 | < 1/R**2 > | 49.499525 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.159119 | .92084282 |
| 2 | 1s | 23.391322 | .07547729 |
| 3 | 2s | 10.463133 | .02017907 |
| 4 | 3s | 12.714457 | -.02018722 |
| 5 | 4s | 15.383127 | .00902457 |
| 6 | 5s | 41.393137 | .00076188 |
| 7 | 4s | 98.363371 | -.00002652 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091033 | < R2 > | .011121 | < 1/R > | 16.589811 | < 1/R**2 > | 554.538363 |
Total Energy= -419.13934825 a.u.
Kinetic Energy= 419.13079324 a.u.
Potential Energy= -838.27014149 a.u.
Virial Ratio = -2.00002041