(1s 2 2s 2 2p 4 5p 1 ) 4 D Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | 3.300725 | .18773960 |
| 2 | 3p | 1.427185 | -1.77680764 |
| 3 | 4p | 1.284266 | 3.72771435 |
| 4 | 5p | 1.075485 | -2.62096105 |
| 5 | 2p | 6.948781 | .05409395 |
| 6 | 5p | 18.402339 | -.00128465 |
| 7 | 4p | 27.047513 | -.00046201 |
| 8 | 2p | 1.793867 | -.09758167 |
| 9 | 4p | .673759 | .00811353 |
| 10 | 5p | 90.028156 | -.00000688 |
| ORB.ENERGY,a.u. | -.588950 | ||
| NORM | .999998 | < R > | 6.193933 | < R2 > | 43.130382 | < 1/R > | .230829 | < 1/R**2 > | .200474 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.152552 | 1.22881639 |
| 2 | 3p | 4.876070 | -.30477443 |
| 3 | 2p | 9.962315 | .07038589 |
| 4 | 4p | 11.583758 | .01625247 |
| 5 | 5p | .658179 | .00016143 |
| 6 | 5p | 38.831121 | -.00001338 |
| 7 | 3p | 32.973094 | .00004763 |
| ORB.ENERGY,a.u. | -6.696600 | ||
| NORM | 1.000000 | < R > | .537301 | < R2 > | .356228 | < 1/R > | 2.406302 | < 1/R**2 > | 8.040896 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.578507 | .36276951 |
| 2 | 2s | 5.221946 | -.84150998 |
| 3 | 3s | 4.581752 | -.29815487 |
| 4 | 4s | 15.810391 | .00714854 |
| 5 | 3s | 16.023958 | .00663159 |
| 6 | 5s | 31.712465 | .00045622 |
| 7 | 5s | 5.736889 | .00688358 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .585327 | < R2 > | .404977 | < 1/R > | 2.486643 | < 1/R**2 > | 25.339454 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252346 | .92403110 |
| 2 | 1s | 18.422114 | .07306977 |
| 3 | 2s | 7.088018 | .02048822 |
| 4 | 3s | 8.754967 | -.02086699 |
| 5 | 4s | 11.090026 | .00995141 |
| 6 | 5s | 30.519495 | .00084752 |
| 7 | 4s | 67.911105 | -.00005835 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120005 | < R2 > | .019355 | < 1/R > | 12.605407 | < 1/R**2 > | 320.757200 |
Total Energy= -230.63357551 a.u.
Kinetic Energy= 230.63638482 a.u.
Potential Energy= -461.26996032 a.u.
Virial Ratio = -1.99998782