(1s 2 2s 2 2p 6 3s 1 5s 1 ) 1 S Cl 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 5s- electron | |
| 1 | 1s | 14.983122 | .02783869 |
| 2 | 2s | 4.637106 | -.12200391 |
| 3 | 3s | 1.888281 | 1.71493845 |
| 4 | 4s | 1.815639 | -3.17878074 |
| 5 | 5s | 1.395296 | 2.08880959 |
| 6 | 5s | 11.581496 | -.01536848 |
| 7 | 4s | 15.226901 | -.01487015 |
| 8 | 3s | 20.262032 | -.00211275 |
| 9 | 2s | .739347 | -.04946007 |
| ORB.ENERGY,a.u. | -.972790 | ||
| NORM | .999999 | < R > | 4.655020 | < R2 > | 24.054188 | < 1/R > | .269163 | < 1/R**2 > | .387708 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | .948637 | 2.81450468 |
| 2 | 1s | 14.999181 | .08550070 |
| 3 | 2s | 5.930861 | -1.04633865 |
| 4 | 3s | 1.604136 | -1.76884018 |
| 5 | 4s | 3.574130 | .31449108 |
| 6 | 5s | 19.907737 | -.00397855 |
| 7 | 4s | 5.744229 | -.30231436 |
| 8 | 5s | .859995 | -.00443602 |
| ORB.ENERGY,a.u. | -3.489900 | ||
| NORM | .999999 | < R > | 1.285810 | < R2 > | 2.025920 | < 1/R > | 1.104047 | < 1/R**2 > | 7.338910 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.643995 | .44483500 |
| 2 | 3p | 7.652851 | .48753450 |
| 3 | 5p | 5.421890 | .00995400 |
| 4 | 4p | 6.386604 | .16001002 |
| 5 | 2p | 21.352025 | .00285039 |
| 6 | 5p | 40.123142 | -.00014090 |
| 7 | 3p | 79.983479 | .00000289 |
| 8 | 3p | .655493 | .00001803 |
| ORB.ENERGY,a.u. | -10.990000 | ||
| NORM | 1.000000 | < R > | .401963 | < R2 > | .199869 | < 1/R > | 3.223118 | < 1/R**2 > | 14.442253 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.677751 | .38031765 |
| 2 | 2s | 7.063033 | -.83218070 |
| 3 | 3s | 6.229003 | -.29797549 |
| 4 | 4s | 28.564154 | .00169448 |
| 5 | 3s | 16.767290 | .00871456 |
| 6 | 2s | 3.766513 | -.01515874 |
| 7 | 4s | 1.128715 | -.00525051 |
| 8 | 5s | 1.290983 | .00547749 |
| ORB.ENERGY,a.u. | -13.632000 | ||
| NORM | 1.000000 | < R > | .438989 | < R2 > | .227981 | < 1/R > | 3.333670 | < 1/R**2 > | 45.685568 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.580192 | 1.01106516 |
| 2 | 2s | 20.558265 | -.01842334 |
| 3 | 3s | 15.147266 | .01696931 |
| 4 | 4s | 60.307584 | -.00039638 |
| 5 | 4s | 8.471448 | .00134892 |
| 6 | 5s | 76.953495 | .00010897 |
| 7 | 5s | 8.754556 | -.00052439 |
| 8 | 2s | 28.682519 | -.00344837 |
| 9 | 2s | 148.063337 | .00000334 |
| 10 | 3s | 1.873597 | -.00001173 |
| ORB.ENERGY,a.u. | -107.620000 |
| NORM | 1.000000 | < R > | .091261 | < R2 > | .011190 | < 1/R > | 16.563857 | < 1/R**2 > | 553.197536 |
Total Energy= -449.90845364 a.u.
Kinetic Energy= 449.90139220 a.u.
Potential Energy= -899.80984583 a.u.
Virial Ratio = -2.00001570