(1s 2 2s 2 2p 6 3s 1 5p 1 ) 1 P Cl 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 5.617027 | .13590795 |
| 2 | 3p | 2.130969 | -1.03177300 |
| 3 | 4p | 1.508221 | 3.03400444 |
| 4 | 5p | 1.337667 | -2.75484513 |
| 5 | 3p | 20.900826 | -.00043328 |
| 6 | 2p | 10.477721 | .02772238 |
| ORB.ENERGY,a.u. | -.879030 | ||
| NORM | .999999 | < R > | 4.969437 | < R2 > | 27.800241 | < 1/R > | .289527 | < 1/R**2 > | .326397 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.331377 | -.05654846 |
| 2 | 1s | 5.307096 | .05323696 |
| 3 | 1s | 13.595884 | .13602927 |
| 4 | 2s | 6.152535 | -.51455850 |
| 5 | 3s | 2.878541 | .81717646 |
| 6 | 4s | 3.752812 | .33431447 |
| 7 | 5s | 7.313189 | -.02868157 |
| 8 | 4s | 25.475261 | .00168566 |
| 9 | 3s | 27.265113 | .00046163 |
| 10 | 2s | .354372 | .00024411 |
| ORB.ENERGY,a.u. | -3.489900 | ||
| NORM | 1.000000 | < R > | 1.288253 | < R2 > | 1.879178 | < 1/R > | 1.069383 | < 1/R**2 > | 6.806383 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.644179 | .44485324 |
| 2 | 3p | 7.652674 | .48750927 |
| 3 | 5p | 5.411008 | .00996608 |
| 4 | 4p | 6.388053 | .16000791 |
| 5 | 2p | 21.331862 | .00285370 |
| 6 | 5p | 40.001017 | -.00014515 |
| 7 | 3p | 82.949612 | .00000280 |
| 8 | 3p | .518934 | .00003800 |
| ORB.ENERGY,a.u. | -10.990000 | ||
| NORM | 1.000000 | < R > | .401952 | < R2 > | .199858 | < 1/R > | 3.223188 | < 1/R**2 > | 14.442861 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.677239 | .38019721 |
| 2 | 2s | 7.053562 | -.83522721 |
| 3 | 3s | 6.215662 | -.29693574 |
| 4 | 4s | 28.359793 | .00183612 |
| 5 | 3s | 16.624462 | .00860076 |
| 6 | 2s | 3.582093 | -.01332799 |
| 7 | 4s | 1.070563 | -.00022702 |
| 8 | 5s | 64.815647 | .00001178 |
| 9 | 5s | 1.171451 | .00017575 |
| ORB.ENERGY,a.u. | -13.632000 | ||
| NORM | 1.000000 | < R > | .439143 | < R2 > | .228143 | < 1/R > | 3.332454 | < 1/R**2 > | 45.654337 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.580024 | 1.01106912 |
| 2 | 2s | 20.567358 | -.01842686 |
| 3 | 3s | 15.142265 | .01697528 |
| 4 | 4s | 60.203774 | -.00039543 |
| 5 | 4s | 8.482134 | .00134656 |
| 6 | 5s | 76.943336 | .00010874 |
| 7 | 5s | 8.735065 | -.00052576 |
| 8 | 2s | 28.677616 | -.00344767 |
| 9 | 2s | 143.859109 | .00000358 |
| 10 | 3s | 2.351059 | -.00002057 |
| ORB.ENERGY,a.u. | -107.620000 |
| NORM | 1.000000 | < R > | .091263 | < R2 > | .011190 | < 1/R > | 16.563626 | < 1/R**2 > | 553.185976 |
Total Energy= -449.81706206 a.u.
Kinetic Energy= 449.80891622 a.u.
Potential Energy= -899.62597828 a.u.
Virial Ratio = -2.00001811