(1s 2 2s 2 2p 6 3s 2 3p 2 5p 1 ) 4 D Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | 1.099894 | 1.15408759 |
| 2 | 5p | .792535 | -1.48361700 |
| 3 | 3p | 2.635846 | -.26389743 |
| 4 | 2p | 10.893330 | .01451339 |
| 5 | 2p | 5.314349 | .07644742 |
| 6 | 5p | 2.424776 | -.09842944 |
| 7 | 4p | 14.197280 | .00178547 |
| ORB.ENERGY,a.u. | -.467200 | ||
| NORM | 1.000000 | < R > | 7.647668 | < R2 > | 65.431190 | < 1/R > | .175684 | < 1/R**2 > | .111420 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.877106 | .37846904 |
| 2 | 2p | 1.733387 | -.79488045 |
| 3 | 3p | 2.444574 | -.38211241 |
| 4 | 2p | 9.507959 | .09787307 |
| 5 | 4p | 1.940481 | .05759004 |
| 6 | 3p | 14.106319 | -.00408508 |
| 7 | 4p | 32.545194 | -.00024490 |
| 8 | 5p | .933207 | .00123757 |
| 9 | 5p | 102.381389 | -.00000481 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.523803 | < R2 > | 2.679577 | < 1/R > | .876030 | < 1/R**2 > | 1.687474 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.377590 | -.33387947 |
| 2 | 1s | 12.264660 | .19707474 |
| 3 | 1s | 63.643489 | .00008111 |
| 4 | 2s | 5.672520 | -.22513215 |
| 5 | 3s | 2.697897 | .99634430 |
| 6 | 4s | 4.712731 | .11543457 |
| 7 | 3s | 36.731413 | -.00056313 |
| 8 | 5s | 2.538512 | .08246778 |
| 9 | 4s | .531458 | -.00012666 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.413451 | < R2 > | 2.281055 | < 1/R > | .962585 | < 1/R**2 > | 5.412956 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.958221 | .41304713 |
| 2 | 3p | 7.908462 | .49212961 |
| 3 | 4p | 6.544887 | .18792937 |
| 4 | 5p | 5.327692 | .01825883 |
| 5 | 5p | 34.535546 | -.00020022 |
| 6 | 3p | 2.483418 | .00153551 |
| 7 | 2p | 24.103703 | .00153310 |
| 8 | 4p | 87.731710 | .00000672 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404833 | < R2 > | .203250 | < 1/R > | 3.206504 | < 1/R**2 > | 14.315490 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.753769 | .37590393 |
| 2 | 2s | 6.936724 | -.76842987 |
| 3 | 3s | 6.416868 | -.16216004 |
| 4 | 4s | 26.680324 | .00171051 |
| 5 | 2s | 4.894173 | -.19784804 |
| 6 | 3s | 17.874057 | .00648392 |
| 7 | 4s | 2.939375 | -.00051483 |
| 8 | 5s | 44.712742 | .00012056 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440594 | < R2 > | .229850 | < 1/R > | 3.322230 | < 1/R**2 > | 45.402053 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578425 | 1.01107813 |
| 2 | 2s | 20.679201 | -.01844262 |
| 3 | 3s | 15.067562 | .01706270 |
| 4 | 4s | 62.040838 | -.00038881 |
| 5 | 4s | 8.154530 | .00129875 |
| 6 | 5s | 80.181326 | .00011156 |
| 7 | 5s | 8.290166 | -.00056722 |
| 8 | 2s | 28.466729 | -.00340489 |
| 9 | 2s | 162.477628 | .00000228 |
| 10 | 3s | 1.834601 | -.00000750 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091283 | < R2 > | .011196 | < 1/R > | 16.561201 | < 1/R**2 > | 553.056996 |
Total Energy= -457.07053092 a.u.
Kinetic Energy= 457.07526501 a.u.
Potential Energy= -914.14579593 a.u.
Virial Ratio = -1.99998964