(1s 2 2s 2 2p 4 4d 1 ) 4 F Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4342.
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 | 1.560825 | 1.07850708 |
| 2 | 4d | 1.251488 | -1.61292930 |
| 3 | 3d | 5.265592 | .03304378 |
| 4 | 4d | 3.818160 | .03722864 |
| 5 | 5d | 15.452540 | -.00015661 |
| 6 | 5d | 1.077498 | .01708464 |
| ORB.ENERGY,a.u. | -.816110 | ||
| NORM | 1.000000 | < R > | 3.965787 | < R2 > | 18.105405 | < 1/R > | .341777 | < 1/R**2 > | .201738 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.144792 | 1.24239134 |
| 2 | 3p | 4.897262 | -.31634755 |
| 3 | 2p | 9.905846 | .07045283 |
| 4 | 4p | 11.378366 | .01525121 |
| 5 | 5p | 2.884432 | .01242485 |
| 6 | 5p | 31.666280 | -.00014945 |
| 7 | 4p | 2.495089 | -.01384582 |
| ORB.ENERGY,a.u. | -6.562900 | ||
| NORM | 1.000000 | < R > | .537804 | < R2 > | .357033 | < 1/R > | 2.404881 | < 1/R**2 > | 8.033605 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.566368 | .36331868 |
| 2 | 2s | 5.243445 | -.83707948 |
| 3 | 3s | 4.637079 | -.29557683 |
| 4 | 4s | 15.589812 | .00895719 |
| 5 | 3s | 16.939383 | .00569406 |
| 6 | 5s | 31.012480 | .00053869 |
| 7 | 5s | 4.452562 | -.00363040 |
| 8 | 4s | 1.487644 | .00006594 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .585529 | < R2 > | .405328 | < 1/R > | 2.486041 | < 1/R**2 > | 25.329089 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252645 | .92403171 |
| 2 | 1s | 18.422761 | .07306575 |
| 3 | 2s | 7.095357 | .02045727 |
| 4 | 3s | 8.767872 | -.02083480 |
| 5 | 4s | 11.104616 | .00992603 |
| 6 | 5s | 30.718303 | .00085864 |
| 7 | 4s | 67.550740 | -.00005394 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .119999 | < R2 > | .019353 | < 1/R > | 12.605831 | < 1/R**2 > | 320.774249 |
Total Energy= -230.86181535 a.u.
Kinetic Energy= 230.86370829 a.u.
Potential Energy= -461.72552364 a.u.
Virial Ratio = -1.99999180