(1s 2 2s 2 2p 6 3s 2 5p 1 ) 2 P Cl 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 4p | 1.175114 | 4.40798750 |
| 2 | 5p | 1.207428 | -4.41473665 |
| 3 | 3p | 2.301645 | -.58171580 |
| 4 | 2p | 25.782825 | .00054198 |
| 5 | 2p | 6.238769 | .15427238 |
| 6 | 5p | 14.625029 | .00889980 |
| 7 | 3p | 1.365451 | -.19625206 |
| 8 | 4p | 11.427405 | -.03274070 |
| 9 | 5p | .605099 | .11375531 |
| 10 | 4p | .554313 | -.15457427 |
| ORB.ENERGY,a.u. | -.655840 | ||
| NORM | 1.000003 | < R > | 5.565264 | < R2 > | 34.757943 | < 1/R > | .252509 | < 1/R**2 > | .243615 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.296516 | -.37190516 |
| 2 | 1s | 12.554734 | .18413035 |
| 3 | 1s | 76.456529 | .00004662 |
| 4 | 2s | 6.158401 | -.28689373 |
| 5 | 3s | 2.759275 | 1.08647660 |
| 6 | 4s | 4.263293 | .21272741 |
| 7 | 3s | 39.028973 | -.00053999 |
| 8 | 5s | 2.769431 | -.00818758 |
| 9 | 3s | .821677 | -.00731500 |
| 10 | 2s | .684740 | .00888796 |
| ORB.ENERGY,a.u. | -3.147200 | ||
| NORM | 1.000000 | < R > | 1.330530 | < R2 > | 2.008879 | < 1/R > | 1.028150 | < 1/R**2 > | 6.222181 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.736894 | .43539612 |
| 2 | 3p | 7.674326 | .49894165 |
| 3 | 5p | 5.006605 | .00813068 |
| 4 | 4p | 6.297244 | .16282566 |
| 5 | 2p | 22.417488 | .00221737 |
| 6 | 5p | 37.407706 | -.00015735 |
| 7 | 4p | 92.894350 | .00000488 |
| 8 | 3p | 151.145525 | .00000036 |
| ORB.ENERGY,a.u. | -10.431000 | ||
| NORM | 1.000000 | < R > | .403241 | < R2 > | .201367 | < 1/R > | 3.215687 | < 1/R**2 > | 14.385328 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.722419 | .37848688 |
| 2 | 2s | 6.936452 | -.77064418 |
| 3 | 3s | 6.264100 | -.16417655 |
| 4 | 4s | 27.960277 | .00189778 |
| 5 | 2s | 5.142924 | -.19572391 |
| 6 | 3s | 17.155595 | .00737836 |
| 7 | 4s | 2.608094 | .00008813 |
| 8 | 5s | 58.700875 | .00002102 |
| 9 | 2s | 19.147240 | .00010039 |
| ORB.ENERGY,a.u. | -12.871000 | ||
| NORM | 1.000000 | < R > | .438944 | < R2 > | .227900 | < 1/R > | 3.333894 | < 1/R**2 > | 45.691775 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.580370 | 1.01102423 |
| 2 | 2s | 20.566478 | -.01839141 |
| 3 | 3s | 15.149367 | .01697166 |
| 4 | 4s | 61.337551 | -.00040643 |
| 5 | 4s | 8.582732 | .00128750 |
| 6 | 5s | 78.883251 | .00011770 |
| 7 | 5s | 8.795237 | -.00053847 |
| 8 | 2s | 28.637693 | -.00344418 |
| 9 | 2s | 159.738109 | .00000249 |
| 10 | 3s | 5.664043 | .00009427 |
| ORB.ENERGY,a.u. | -106.790000 |
| NORM | 1.000000 | < R > | .091263 | < R2 > | .011191 | < 1/R > | 16.563504 | < 1/R**2 > | 553.176339 |
Total Energy= -453.06546201 a.u.
Kinetic Energy= 453.06546264 a.u.
Potential Energy= -906.13092464 a.u.
Virial Ratio = -2.00000000