(1s 2 2s 2 2p 5 3d 1 ) 1 P Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
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 | 1.340939 | 1.01175271 |
| 2 | 3d | 5.903195 | .00626889 |
| 3 | 4d | 1.516974 | -.01310606 |
| 4 | 5d | 13.495116 | -.00015022 |
| ORB.ENERGY,a.u. | -.895700 | ||
| NORM | 1.000000 | < R > | 2.601677 | < R2 > | 7.744903 | < 1/R > | .449645 | < 1/R**2 > | .244268 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.865033 | 1.28449937 |
| 2 | 3p | 4.608710 | -.37467210 |
| 3 | 2p | 9.499730 | .08692801 |
| 4 | 4p | 11.131767 | .01750348 |
| 5 | 5p | 1.621983 | -.00034347 |
| 6 | 5p | 31.852702 | -.00011446 |
| ORB.ENERGY,a.u. | -5.000400 | ||
| NORM | 1.000000 | < R > | .564932 | < R2 > | .397143 | < 1/R > | 2.310932 | < 1/R**2 > | 7.493597 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.645440 | .34911938 |
| 2 | 2s | 5.137071 | -.82761623 |
| 3 | 3s | 4.359630 | -.30194095 |
| 4 | 4s | 16.821410 | .00522568 |
| 5 | 3s | 15.382337 | .00655881 |
| 6 | 5s | 34.503997 | .00027914 |
| 7 | 5s | 3.418561 | -.00155782 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602357 | < R2 > | .430817 | < 1/R > | 2.416162 | < 1/R**2 > | 24.020056 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.197191 | .91350450 |
| 2 | 1s | 18.071464 | .08416085 |
| 3 | 2s | 6.985660 | .01939892 |
| 4 | 3s | 8.837771 | -.02058833 |
| 5 | 4s | 11.207772 | .01068338 |
| 6 | 5s | 31.077977 | .00096588 |
| 7 | 4s | 73.071256 | -.00003898 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120145 | < R2 > | .019412 | < 1/R > | 12.596436 | < 1/R**2 > | 320.409105 |
Total Energy= -236.56137599 a.u.
Kinetic Energy= 236.53856302 a.u.
Potential Energy= -473.09993901 a.u.
Virial Ratio = -2.00009645