(1s 2 2s 2 2p 6 3s 2 3p 1 4d 1 ) 1 D Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 1.023833 | 1.23139534 |
| 2 | 4d | 1.118841 | -2.52995006 |
| 3 | 3d | 2.011096 | .80554506 |
| 4 | 4d | 2.389789 | -.40648467 |
| 5 | 5d | 4.065097 | -.03820054 |
| 6 | 5d | 1.228077 | .33677421 |
| 7 | 3d | 7.317265 | .01312986 |
| 8 | 4d | 54.301972 | .00000255 |
| ORB.ENERGY,a.u. | -.601350 | ||
| NORM | .999999 | < R > | 4.292632 | < R2 > | 21.058822 | < 1/R > | .314425 | < 1/R**2 > | .181626 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.026635 | .36615754 |
| 2 | 2p | 1.897996 | -.43375750 |
| 3 | 3p | 2.502483 | -.68593845 |
| 4 | 2p | 9.719909 | .09417364 |
| 5 | 3p | 16.264340 | -.00278209 |
| 6 | 4p | 1.422467 | .00180242 |
| 7 | 5p | 46.730080 | -.00005397 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.465737 | < R2 > | 2.470558 | < 1/R > | .912860 | < 1/R**2 > | 1.831144 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.352197 | -.36503437 |
| 2 | 1s | 12.214306 | .20724467 |
| 3 | 1s | 61.994548 | .00009178 |
| 4 | 2s | 5.626583 | -.22541998 |
| 5 | 3s | 2.740738 | 1.05987859 |
| 6 | 4s | 4.765586 | .10488721 |
| 7 | 3s | 36.490074 | -.00058692 |
| 8 | 5s | 2.555377 | .03693432 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.374748 | < R2 > | 2.150823 | < 1/R > | .991614 | < 1/R**2 > | 5.762975 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.786966 | .43119039 |
| 2 | 3p | 7.644110 | .51129377 |
| 3 | 5p | 4.448634 | .00566435 |
| 4 | 4p | 6.165965 | .15886652 |
| 5 | 2p | 24.296743 | .00158132 |
| 6 | 5p | 32.629212 | -.00015737 |
| 7 | 3p | 48.186519 | .00003063 |
| 8 | 3p | 10.996724 | .00003898 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404214 | < R2 > | .202531 | < 1/R > | 3.210245 | < 1/R**2 > | 14.344586 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.735566 | .37722076 |
| 2 | 2s | 6.942267 | -.76948089 |
| 3 | 3s | 6.360236 | -.16289809 |
| 4 | 4s | 27.597351 | .00176355 |
| 5 | 2s | 4.980009 | -.19723823 |
| 6 | 3s | 17.511712 | .00695385 |
| 7 | 4s | 2.993012 | -.00021381 |
| 8 | 5s | 47.896300 | .00004517 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .439883 | < R2 > | .229015 | < 1/R > | 3.327330 | < 1/R**2 > | 45.529171 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579314 | 1.01106249 |
| 2 | 2s | 20.622543 | -.01842222 |
| 3 | 3s | 15.111936 | .01700954 |
| 4 | 4s | 61.843309 | -.00038862 |
| 5 | 4s | 8.416875 | .00132177 |
| 6 | 5s | 79.814679 | .00010951 |
| 7 | 5s | 8.661827 | -.00052860 |
| 8 | 2s | 28.527612 | -.00343299 |
| 9 | 2s | 160.860584 | .00000242 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091272 | < R2 > | .011193 | < 1/R > | 16.562418 | < 1/R**2 > | 553.120170 |
Total Energy= -455.45015006 a.u.
Kinetic Energy= 455.46336829 a.u.
Potential Energy= -910.91351835 a.u.
Virial Ratio = -1.99997098