(1s 2 2s 2 2p 4 3d 1 ) 4 P Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4132.
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 | 3d- electron | |
| 1 | 3d | 3.175435 | 1.11501981 |
| 2 | 3d | 7.776670 | .03780888 |
| 3 | 4d | 3.946817 | -.14005460 |
| 4 | 5d | 25.269388 | -.00014518 |
| 5 | 5d | 2.870343 | .00590662 |
| ORB.ENERGY,a.u. | -4.702000 | ||
| NORM | 1.000000 | < R > | 1.080793 | < R2 > | 1.351684 | < 1/R > | 1.099449 | < 1/R**2 > | 1.490598 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.829032 | 1.23902744 |
| 2 | 3p | 6.568506 | -.32109842 |
| 3 | 2p | 12.931622 | .07260572 |
| 4 | 4p | 15.424113 | .01254239 |
| 5 | 5p | 5.999337 | -.00648674 |
| 6 | 4p | 4.485953 | .00197244 |
| 7 | 3p | 51.482256 | .00003007 |
| ORB.ENERGY,a.u. | -15.512000 | ||
| NORM | 1.000000 | < R > | .375510 | < R2 > | .172659 | < 1/R > | 3.409918 | < 1/R**2 > | 15.957900 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.480804 | .40508287 |
| 2 | 2s | 7.292517 | -.85413665 |
| 3 | 3s | 6.746571 | -.30000429 |
| 4 | 4s | 17.908889 | .00688018 |
| 5 | 3s | 20.142600 | .00793103 |
| 6 | 5s | 36.411404 | .00060485 |
| 7 | 5s | 6.345655 | -.00662906 |
| 8 | 2s | 93.497639 | .00000610 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .421748 | < R2 > | .209362 | < 1/R > | 3.474518 | < 1/R**2 > | 49.312572 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.160209 | .92045188 |
| 2 | 1s | 23.357558 | .07584466 |
| 3 | 2s | 10.423729 | .02020987 |
| 4 | 3s | 12.737056 | -.02015432 |
| 5 | 4s | 15.488432 | .00891684 |
| 6 | 5s | 41.392744 | .00081766 |
| 7 | 4s | 103.347629 | -.00002383 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091026 | < R2 > | .011119 | < 1/R > | 16.590785 | < 1/R**2 > | 554.590415 |
Total Energy= -422.06146786 a.u.
Kinetic Energy= 422.04026712 a.u.
Potential Energy= -844.10173498 a.u.
Virial Ratio = -2.00005023