(1s 2 2s 2 2p 6 3s 1 3d 1 ) 1 D Cl 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 3d- electron | |
| 1 | 3d | 1.744639 | 1.46492629 |
| 2 | 4d | 1.870465 | -.70110398 |
| 3 | 3d | 3.314442 | .41624702 |
| 4 | 4d | 3.865140 | -.18375595 |
| 5 | 5d | 7.098475 | -.01243409 |
| 6 | 3d | 9.095838 | .00803625 |
| ORB.ENERGY,a.u. | -2.141400 | ||
| NORM | 1.000000 | < R > | 1.522850 | < R2 > | 2.716591 | < 1/R > | .793901 | < 1/R**2 > | .796594 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.496011 | -.07670900 |
| 2 | 1s | 4.069566 | .06010990 |
| 3 | 1s | 13.852028 | .13120445 |
| 4 | 2s | 5.964145 | -.50899976 |
| 5 | 3s | 2.683573 | .82973072 |
| 6 | 4s | 3.883893 | .32789094 |
| 7 | 5s | 18.385697 | -.00546317 |
| 8 | 4s | 37.624748 | .00010597 |
| 9 | 2s | 1.063205 | .00231846 |
| ORB.ENERGY,a.u. | -3.489900 | ||
| NORM | 1.000000 | < R > | 1.318782 | < R2 > | 1.975431 | < 1/R > | 1.045592 | < 1/R**2 > | 6.535998 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.657734 | .44350584 |
| 2 | 3p | 7.653233 | .48918715 |
| 3 | 5p | 5.356846 | .01044478 |
| 4 | 4p | 6.361294 | .15985117 |
| 5 | 2p | 21.568630 | .00270426 |
| 6 | 5p | 39.299880 | -.00014539 |
| 7 | 3p | 76.764501 | .00000367 |
| 8 | 3p | 2.797601 | .00084476 |
| ORB.ENERGY,a.u. | -10.990000 | ||
| NORM | 1.000000 | < R > | .402596 | < R2 > | .200686 | < 1/R > | 3.220287 | < 1/R**2 > | 14.423840 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.651290 | .38070482 |
| 2 | 2s | 7.071029 | -.83542209 |
| 3 | 3s | 6.195538 | -.29960869 |
| 4 | 4s | 28.468814 | .00204986 |
| 5 | 3s | 16.026614 | .00936649 |
| 6 | 2s | 3.069582 | -.01434199 |
| 7 | 4s | 1.231776 | -.00181334 |
| 8 | 5s | 70.049808 | .00001860 |
| 9 | 5s | 1.410716 | .00162579 |
| 10 | 2s | 112.113520 | -.00000063 |
| ORB.ENERGY,a.u. | -13.632000 | ||
| NORM | 1.000000 | < R > | .440109 | < R2 > | .229407 | < 1/R > | 3.326881 | < 1/R**2 > | 45.523746 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.580483 | 1.01106063 |
| 2 | 2s | 20.549336 | -.01841921 |
| 3 | 3s | 15.155327 | .01695990 |
| 4 | 4s | 60.341641 | -.00039781 |
| 5 | 4s | 8.467350 | .00135241 |
| 6 | 5s | 77.159897 | .00010887 |
| 7 | 5s | 8.734321 | -.00052446 |
| 8 | 2s | 28.688646 | -.00344898 |
| 9 | 2s | 148.657629 | .00000330 |
| 10 | 3s | 1.638148 | -.00000665 |
| ORB.ENERGY,a.u. | -107.620000 |
| NORM | 1.000000 | < R > | .091258 | < R2 > | .011189 | < 1/R > | 16.564226 | < 1/R**2 > | 553.217785 |
Total Energy= -451.43835008 a.u.
Kinetic Energy= 451.07295318 a.u.
Potential Energy= -902.51130326 a.u.
Virial Ratio = -2.00081006