(1s 2 2s 2 2p 6 3s 2 ) 1 S Al +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 3s- electron | |
| 1 | 1s | .849190 | 1.08755309 |
| 2 | 1s | 11.705811 | .05202231 |
| 3 | 2s | 4.949835 | -.41466456 |
| 4 | 3s | 3.606197 | -.37178554 |
| 5 | 4s | 1.727259 | .25058563 |
| 6 | 5s | 14.397366 | -.00324297 |
| 7 | 5s | 1.055448 | -.02298387 |
| 8 | 4s | 25.638925 | .00010164 |
| ORB.ENERGY,a.u. | -.645030 | ||
| NORM | 1.000000 | < R > | 2.429678 | < R2 > | 6.797271 | < 1/R > | .539978 | < 1/R**2 > | 1.563534 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.193937 | .52455284 |
| 2 | 3p | 4.991235 | .39261170 |
| 3 | 4p | 4.309525 | .16851118 |
| 4 | 5p | 3.584152 | .03234124 |
| 5 | 2p | 13.534906 | .01233099 |
| 6 | 5p | 10.645011 | -.01027463 |
| 7 | 4p | 53.346868 | .00001832 |
| 8 | 3p | 1.698885 | .00241073 |
| ORB.ENERGY,a.u. | -3.330400 | ||
| NORM | 1.000000 | < R > | .600349 | < R2 > | .454993 | < 1/R > | 2.205626 | < 1/R**2 > | 6.918639 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.763802 | .33407211 |
| 2 | 2s | 5.066877 | -.81037285 |
| 3 | 3s | 4.150199 | -.31341455 |
| 4 | 4s | 17.717319 | .01065753 |
| 5 | 3s | 29.142200 | .00165933 |
| 6 | 2s | 1.385837 | -.01002671 |
| 7 | 5s | 31.578880 | .00115223 |
| 8 | 4s | 1.807359 | .00530498 |
| 9 | 2s | 59.229386 | .00004370 |
| ORB.ENERGY,a.u. | -5.072000 | ||
| NORM | 1.000000 | < R > | .619552 | < R2 > | .458103 | < 1/R > | 2.350693 | < 1/R**2 > | 22.827745 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.586575 | 1.01574331 |
| 2 | 2s | 17.926493 | -.02458710 |
| 3 | 3s | 8.786319 | .02361350 |
| 4 | 4s | 41.208461 | -.00021314 |
| 5 | 4s | 29.671202 | .00036477 |
| 6 | 2s | 64.685157 | .00003063 |
| 7 | 5s | 10.832770 | -.00903477 |
| 8 | 3s | 4.408400 | .00029416 |
| 9 | 2s | 94.144303 | -.00000063 |
| ORB.ENERGY,a.u. | -58.021000 |
| NORM | 1.000000 | < R > | .120254 | < R2 > | .019457 | < 1/R > | 12.589517 | < 1/R**2 > | 320.139598 |
Total Energy= -241.67467151 a.u.
Kinetic Energy= 241.67466465 a.u.
Potential Energy= -483.34933617 a.u.
Virial Ratio = -2.00000003