(1s 2 2s 2 2p 3 5d 1 ) 5 D Cl 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5252.
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 | 5d- electron | |
| 1 | 3d | 2.783482 | 1.15511018 |
| 2 | 4d | 2.059805 | -4.72062650 |
| 3 | 5d | 2.025426 | 4.31351612 |
| 4 | 3d | 6.258358 | .05863432 |
| 5 | 5d | 9.293546 | -.00992350 |
| 6 | 4d | 32.327923 | .00006794 |
| 7 | 5d | 1.661276 | -.02540669 |
| 8 | 4d | 79.649474 | .00000404 |
| ORB.ENERGY,a.u. | -2.069900 | ||
| NORM | 1.000000 | < R > | 3.321968 | < R2 > | 12.533363 | < 1/R > | .421391 | < 1/R**2 > | .375743 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.775174 | 1.26797147 |
| 2 | 3p | 8.851841 | -.34850831 |
| 3 | 4p | 11.222019 | .07400539 |
| 4 | 5p | 21.940978 | .00374133 |
| 5 | 4p | 3.950117 | .00268081 |
| 6 | 5p | 21.912273 | -.00038210 |
| 7 | 5p | 3.621389 | -.00418050 |
| 8 | 3p | 2.552662 | .00362158 |
| ORB.ENERGY,a.u. | -19.100000 | ||
| NORM | 1.000000 | < R > | .361474 | < R2 > | .158945 | < 1/R > | 3.517223 | < 1/R**2 > | 16.851339 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.382469 | .41923360 |
| 2 | 2s | 7.389730 | -.86616691 |
| 3 | 3s | 7.178876 | -.28990391 |
| 4 | 4s | 28.934347 | .00195462 |
| 5 | 3s | 15.568642 | .01572607 |
| 6 | 5s | 7.282675 | -.01258160 |
| ORB.ENERGY,a.u. | -18.579000 | ||
| NORM | 1.000000 | < R > | .412295 | < R2 > | .199504 | < 1/R > | 3.557030 | < 1/R**2 > | 51.487904 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.181006 | .94115530 |
| 2 | 1s | 25.222604 | .05649067 |
| 3 | 2s | 14.520997 | .01863114 |
| 4 | 3s | 20.370015 | -.01477491 |
| 5 | 4s | 30.975909 | .00269761 |
| 6 | 5s | 59.321372 | .00009388 |
| 7 | 5s | 12.064581 | .00047241 |
| ORB.ENERGY,a.u. | -114.870000 |
| NORM | 1.000000 | < R > | .090890 | < R2 > | .011078 | < 1/R > | 16.606522 | < 1/R**2 > | 555.404853 |
Total Energy= -402.72710255 a.u.
Kinetic Energy= 402.73834739 a.u.
Potential Energy= -805.46544993 a.u.
Virial Ratio = -1.99997208