(1s 2 2s 2 2p 4 5p 1 ) 2 D Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
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 | 5p- electron | |
| 1 | 2p | 3.277337 | .18206243 |
| 2 | 3p | 1.421823 | -1.84043671 |
| 3 | 4p | 1.269651 | 3.84323326 |
| 4 | 5p | 1.072454 | -2.70032139 |
| 5 | 2p | 7.147696 | .04779710 |
| 6 | 5p | 19.598959 | -.00081560 |
| 7 | 4p | 28.863984 | -.00027638 |
| 8 | 2p | 1.774528 | -.06192227 |
| 9 | 4p | .577108 | .00309068 |
| ORB.ENERGY,a.u. | -.584650 | ||
| NORM | 1.000002 | < R > | 6.240058 | < R2 > | 43.772181 | < 1/R > | .227904 | < 1/R**2 > | .190730 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.178144 | 1.22143673 |
| 2 | 3p | 4.935976 | -.29491262 |
| 3 | 2p | 9.940428 | .06959066 |
| 4 | 4p | 11.473973 | .01507772 |
| 5 | 5p | 1.546645 | .00212003 |
| 6 | 5p | 30.659644 | -.00014509 |
| 7 | 4p | .879143 | -.00216223 |
| ORB.ENERGY,a.u. | -6.692300 | ||
| NORM | 1.000000 | < R > | .537149 | < R2 > | .356036 | < 1/R > | 2.406757 | < 1/R**2 > | 8.043243 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.571987 | .36310682 |
| 2 | 2s | 5.225556 | -.84233313 |
| 3 | 3s | 4.570290 | -.29846026 |
| 4 | 4s | 15.743189 | .00771212 |
| 5 | 3s | 16.263786 | .00636848 |
| 6 | 5s | 31.677634 | .00046608 |
| 7 | 5s | 5.516868 | .00745300 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .585324 | < R2 > | .404971 | < 1/R > | 2.486655 | < 1/R**2 > | 25.339667 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252346 | .92403111 |
| 2 | 1s | 18.422114 | .07306979 |
| 3 | 2s | 7.088089 | .02048794 |
| 4 | 3s | 8.754909 | -.02086716 |
| 5 | 4s | 11.089541 | .00995223 |
| 6 | 5s | 30.519548 | .00084749 |
| 7 | 4s | 67.907983 | -.00005836 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120005 | < R2 > | .019355 | < 1/R > | 12.605407 | < 1/R**2 > | 320.757222 |
Total Energy= -230.63363787 a.u.
Kinetic Energy= 230.63207588 a.u.
Potential Energy= -461.26571375 a.u.
Virial Ratio = -2.00000677