(1s 2 2s 2 2p 6 3s 1 4p 1 ) 1 P Cl 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 4p- electron | |
| 1 | 2p | 1.246966 | .30365434 |
| 2 | 2p | 7.786379 | .17025400 |
| 3 | 3p | 11.412275 | -.01447486 |
| 4 | 4p | 3.090291 | -.76419103 |
| 5 | 5p | 1.902611 | 1.00721839 |
| 6 | 5p | 5.717029 | -.11851617 |
| 7 | 4p | 16.071591 | .00230875 |
| ORB.ENERGY,a.u. | -1.452000 | ||
| NORM | 1.000000 | < R > | 2.947774 | < R2 > | 9.860939 | < 1/R > | .479581 | < 1/R**2 > | .704253 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.777104 | -.10718501 |
| 2 | 1s | 6.513486 | .04610442 |
| 3 | 1s | 14.052187 | .12728105 |
| 4 | 2s | 5.757848 | -.52076418 |
| 5 | 3s | 2.828243 | .86026931 |
| 6 | 4s | 3.782080 | .33033583 |
| 7 | 5s | 19.296660 | -.00465695 |
| 8 | 4s | 7.337730 | .03674990 |
| 9 | 3s | 61.713065 | -.00001299 |
| ORB.ENERGY,a.u. | -3.489900 | ||
| NORM | 1.000000 | < R > | 1.295736 | < R2 > | 1.901311 | < 1/R > | 1.062324 | < 1/R**2 > | 6.715086 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.655300 | .44384046 |
| 2 | 3p | 7.652724 | .48892561 |
| 3 | 5p | 5.440203 | .01092768 |
| 4 | 4p | 6.389019 | .15914104 |
| 5 | 2p | 21.570661 | .00271186 |
| 6 | 5p | 39.299770 | -.00014075 |
| 7 | 3p | 74.298476 | .00000398 |
| 8 | 3p | .951569 | -.00017748 |
| 9 | 5p | .838390 | .00005561 |
| ORB.ENERGY,a.u. | -10.990000 | ||
| NORM | 1.000000 | < R > | .402149 | < R2 > | .200081 | < 1/R > | 3.222009 | < 1/R**2 > | 14.433823 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.669332 | .38033796 |
| 2 | 2s | 7.060664 | -.83546300 |
| 3 | 3s | 6.206977 | -.30040170 |
| 4 | 4s | 28.525756 | .00188837 |
| 5 | 3s | 16.367268 | .00897352 |
| 6 | 2s | 3.135430 | -.01163839 |
| 7 | 4s | 3.032276 | .00103906 |
| 8 | 5s | 71.451145 | .00001179 |
| 9 | 5s | 2.725543 | -.00017396 |
| ORB.ENERGY,a.u. | -13.632000 | ||
| NORM | 1.000000 | < R > | .439392 | < R2 > | .228441 | < 1/R > | 3.330745 | < 1/R**2 > | 45.612261 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579784 | 1.01107406 |
| 2 | 2s | 20.577632 | -.01843131 |
| 3 | 3s | 15.134869 | .01698419 |
| 4 | 4s | 60.113435 | -.00039414 |
| 5 | 4s | 8.482802 | .00134663 |
| 6 | 5s | 76.845748 | .00010862 |
| 7 | 5s | 8.718067 | -.00052783 |
| 8 | 2s | 28.671020 | -.00344693 |
| 9 | 2s | 140.759428 | .00000378 |
| 10 | 3s | 2.494250 | -.00003784 |
| ORB.ENERGY,a.u. | -107.620000 |
| NORM | 1.000000 | < R > | .091265 | < R2 > | .011191 | < 1/R > | 16.563309 | < 1/R**2 > | 553.169513 |
Total Energy= -450.40511598 a.u.
Kinetic Energy= 450.38165000 a.u.
Potential Energy= -900.78676598 a.u.
Virial Ratio = -2.00005210