(1s 2 2s 2 2p 4 4d 1 ) 2 P Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2142.
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 | 1.439945 | 1.33671573 |
| 2 | 4d | 1.242080 | -1.83758399 |
| 3 | 3d | 5.549957 | .01897409 |
| 4 | 4d | 3.894983 | .01777485 |
| 5 | 5d | 15.109705 | -.00013476 |
| 6 | 5d | .992688 | .00503335 |
| ORB.ENERGY,a.u. | -.793580 | ||
| NORM | .999998 | < R > | 4.100319 | < R2 > | 19.310027 | < 1/R > | .326730 | < 1/R**2 > | .179141 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.165837 | 1.23808822 |
| 2 | 3p | 4.916005 | -.31033179 |
| 3 | 2p | 9.998837 | .06775678 |
| 4 | 4p | 11.606400 | .01456213 |
| 5 | 5p | 2.516000 | .00030432 |
| 6 | 5p | 29.289881 | -.00016051 |
| ORB.ENERGY,a.u. | -6.540300 | ||
| NORM | 1.000000 | < R > | .537299 | < R2 > | .356274 | < 1/R > | 2.406534 | < 1/R**2 > | 8.042802 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.568462 | .36323962 |
| 2 | 2s | 5.241480 | -.83724642 |
| 3 | 3s | 4.636859 | -.29547905 |
| 4 | 4s | 15.606401 | .00890667 |
| 5 | 3s | 16.970805 | .00565610 |
| 6 | 5s | 30.869863 | .00054390 |
| 7 | 5s | 4.313412 | -.00333920 |
| 8 | 4s | 2.082257 | .00013981 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .585473 | < R2 > | .405239 | < 1/R > | 2.486243 | < 1/R**2 > | 25.332877 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252645 | .92402848 |
| 2 | 1s | 18.421464 | .07307064 |
| 3 | 2s | 7.091192 | .02047015 |
| 4 | 3s | 8.762944 | -.02084720 |
| 5 | 4s | 11.100987 | .00993137 |
| 6 | 5s | 30.637498 | .00085589 |
| 7 | 4s | 67.763309 | -.00005605 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120000 | < R2 > | .019354 | < 1/R > | 12.605734 | < 1/R**2 > | 320.770327 |
Total Energy= -230.86059882 a.u.
Kinetic Energy= 230.84116433 a.u.
Potential Energy= -461.70176316 a.u.
Virial Ratio = -2.00008419