(1s 2 2s 2 2p 6 3s 2 3p 1 4d 1 ) 3 P Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3142.
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 | 4d- electron | |
| 1 | 3d | 1.034168 | 1.28614256 |
| 2 | 4d | 1.110444 | -2.56909557 |
| 3 | 3d | 2.017803 | .78798093 |
| 4 | 4d | 2.463113 | -.43244433 |
| 5 | 5d | 4.270213 | -.02208731 |
| 6 | 5d | 1.283426 | .35564790 |
| 7 | 3d | 7.333337 | .01233529 |
| 8 | 4d | 47.757488 | .00000353 |
| ORB.ENERGY,a.u. | -.578700 | ||
| NORM | 1.000000 | < R > | 4.435773 | < R2 > | 22.510507 | < 1/R > | .306264 | < 1/R**2 > | .174608 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.135184 | .34911632 |
| 2 | 2p | 1.857008 | -.33414704 |
| 3 | 3p | 2.516054 | -.76974033 |
| 4 | 2p | 9.803803 | .09031989 |
| 5 | 3p | 16.176930 | -.00253306 |
| 6 | 4p | 33.616935 | -.00012855 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.462996 | < R2 > | 2.461286 | < 1/R > | .914932 | < 1/R**2 > | 1.840185 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.350642 | -.36524452 |
| 2 | 1s | 12.215335 | .20721736 |
| 3 | 1s | 61.667751 | .00009299 |
| 4 | 2s | 5.624549 | -.22546580 |
| 5 | 3s | 2.740737 | 1.05996174 |
| 6 | 4s | 4.770668 | .10509749 |
| 7 | 3s | 36.488787 | -.00058303 |
| 8 | 5s | 2.562162 | .03692817 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.374657 | < R2 > | 2.150481 | < 1/R > | .991674 | < 1/R**2 > | 5.763723 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.787281 | .43114865 |
| 2 | 3p | 7.644064 | .51131732 |
| 3 | 5p | 4.431089 | .00571029 |
| 4 | 4p | 6.165749 | .15887784 |
| 5 | 2p | 24.301952 | .00158040 |
| 6 | 5p | 32.677270 | -.00015708 |
| 7 | 3p | 47.996014 | .00003081 |
| 8 | 3p | 11.012162 | .00005557 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404229 | < R2 > | .202552 | < 1/R > | 3.210177 | < 1/R**2 > | 14.344108 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.735580 | .37722156 |
| 2 | 2s | 6.942259 | -.76948238 |
| 3 | 3s | 6.360420 | -.16289570 |
| 4 | 4s | 27.590125 | .00176487 |
| 5 | 2s | 4.980018 | -.19723873 |
| 6 | 3s | 17.511429 | .00695442 |
| 7 | 4s | 2.969825 | -.00021561 |
| 8 | 5s | 48.053650 | .00004502 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .439881 | < R2 > | .229013 | < 1/R > | 3.327343 | < 1/R**2 > | 45.529486 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579314 | 1.01106205 |
| 2 | 2s | 20.623047 | -.01842177 |
| 3 | 3s | 15.111936 | .01700953 |
| 4 | 4s | 61.838786 | -.00038857 |
| 5 | 4s | 8.417491 | .00132171 |
| 6 | 5s | 79.817603 | .00010953 |
| 7 | 5s | 8.661299 | -.00052851 |
| 8 | 2s | 28.527264 | -.00343295 |
| 9 | 2s | 160.602546 | .00000243 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091272 | < R2 > | .011193 | < 1/R > | 16.562410 | < 1/R**2 > | 553.119756 |
Total Energy= -455.44990270 a.u.
Kinetic Energy= 455.44069461 a.u.
Potential Energy= -910.89059730 a.u.
Virial Ratio = -2.00002022