(1s 2 2s 2 2p 6 3s 2 3p 2 4s 1 ) 4 P Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4140.
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 | 4s- electron | |
| 1 | 1s | 8.563175 | .10708337 |
| 2 | 2s | 8.486409 | -.18193385 |
| 3 | 3s | 2.712246 | .48694399 |
| 4 | 4s | 1.124587 | -2.76214101 |
| 5 | 5s | 1.228290 | 1.43381214 |
| 6 | 5s | 13.803873 | -.00487216 |
| 7 | 4s | 7.559444 | -.09900001 |
| 8 | 2s | 29.738345 | -.00026710 |
| 9 | 2s | .755082 | .31754296 |
| 10 | 4s | 55.850152 | -.00004115 |
| ORB.ENERGY,a.u. | -.822520 | ||
| NORM | 1.000000 | < R > | 3.607053 | < R2 > | 14.590170 | < 1/R > | .366422 | < 1/R**2 > | .978560 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.845724 | .36250326 |
| 2 | 2p | 1.653394 | -.80739968 |
| 3 | 3p | 2.528858 | -.37990960 |
| 4 | 2p | 9.181952 | .10845862 |
| 5 | 4p | 1.983056 | .07299000 |
| 6 | 3p | 17.069622 | -.00391034 |
| 7 | 4p | 12.956022 | -.00649704 |
| 8 | 5p | 94.545640 | .00000399 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.540645 | < R2 > | 2.748572 | < 1/R > | .867792 | < 1/R**2 > | 1.658375 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.465235 | 2.16885877 |
| 2 | 1s | 16.655965 | .03769966 |
| 3 | 2s | 6.036954 | -1.16437956 |
| 4 | 3s | 1.514987 | -.43433599 |
| 5 | 4s | 5.069104 | -.39124593 |
| 6 | 5s | 8.036532 | -.11229956 |
| 7 | 4s | 1.547328 | .15991558 |
| 8 | 3s | 58.292519 | -.00023302 |
| 9 | 4s | 89.718878 | .00008373 |
| 10 | 5s | .709650 | .00017108 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.421216 | < R2 > | 2.313211 | < 1/R > | .958793 | < 1/R**2 > | 5.375514 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.960137 | .41278589 |
| 2 | 3p | 7.908657 | .49237087 |
| 3 | 4p | 6.541968 | .18804753 |
| 4 | 5p | 5.317342 | .01831673 |
| 5 | 5p | 34.682091 | -.00020876 |
| 6 | 3p | 2.547650 | .00145452 |
| 7 | 2p | 24.076425 | .00153217 |
| 8 | 4p | 91.322011 | .00000584 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404922 | < R2 > | .203350 | < 1/R > | 3.205969 | < 1/R**2 > | 14.311322 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.754187 | .37593934 |
| 2 | 2s | 6.937377 | -.76842656 |
| 3 | 3s | 6.419272 | -.16214089 |
| 4 | 4s | 26.614814 | .00172740 |
| 5 | 2s | 4.893132 | -.19787236 |
| 6 | 3s | 17.954201 | .00646012 |
| 7 | 4s | 2.719629 | -.00051744 |
| 8 | 5s | 45.300508 | .00010676 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440544 | < R2 > | .229797 | < 1/R > | 3.322662 | < 1/R**2 > | 45.413519 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578485 | 1.01107634 |
| 2 | 2s | 20.674878 | -.01844103 |
| 3 | 3s | 15.069540 | .01706024 |
| 4 | 4s | 62.103335 | -.00038922 |
| 5 | 4s | 8.143645 | .00130153 |
| 6 | 5s | 80.145340 | .00011171 |
| 7 | 5s | 8.297670 | -.00056702 |
| 8 | 2s | 28.468070 | -.00340513 |
| 9 | 2s | 167.075108 | .00000217 |
| 10 | 3s | .947265 | -.00001901 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091282 | < R2 > | .011196 | < 1/R > | 16.561293 | < 1/R**2 > | 553.061293 |
Total Energy= -457.42017594 a.u.
Kinetic Energy= 457.42921069 a.u.
Potential Energy= -914.84938663 a.u.
Virial Ratio = -1.99998025