(1s 2 2s 2 2p 4 3p 1 ) 2 P Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 2p | 3.352213 | .30843499 |
| 2 | 3p | 1.889014 | -.92389751 |
| 3 | 4p | 2.366671 | -.19617877 |
| 4 | 2p | 7.810710 | .06069611 |
| 5 | 5p | 11.292131 | .00313924 |
| 6 | 5p | 29.397515 | -.00031995 |
| 7 | 4p | 44.045253 | -.00006215 |
| ORB.ENERGY,a.u. | -1.779300 | ||
| NORM | 1.000000 | < R > | 1.987851 | < R2 > | 4.436624 | < 1/R > | .621407 | < 1/R**2 > | .718695 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.517840 | 1.50831422 |
| 2 | 3p | 5.979482 | -.66436991 |
| 3 | 4p | 7.552444 | .14867029 |
| 4 | 5p | 2.468074 | -.02788267 |
| 5 | 5p | 15.017610 | .00647705 |
| 6 | 4p | 34.212909 | -.00012118 |
| 7 | 4p | 1.366689 | -.01232169 |
| 8 | 3p | 1.241486 | .01731704 |
| ORB.ENERGY,a.u. | -6.154000 | ||
| NORM | 1.000000 | < R > | .531743 | < R2 > | .346773 | < 1/R > | 2.418997 | < 1/R**2 > | 8.099426 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.581798 | .36176483 |
| 2 | 2s | 5.228616 | -.83601901 |
| 3 | 3s | 4.628913 | -.29520601 |
| 4 | 4s | 15.773510 | .00956867 |
| 5 | 3s | 17.816139 | .00472584 |
| 6 | 5s | 30.759677 | .00057026 |
| 7 | 5s | 4.028207 | -.00409569 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .586724 | < R2 > | .407127 | < 1/R > | 2.480894 | < 1/R**2 > | 25.231460 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.251313 | .92429801 |
| 2 | 1s | 18.448581 | .07278578 |
| 3 | 2s | 7.138281 | .02045725 |
| 4 | 3s | 8.766073 | -.02079347 |
| 5 | 4s | 11.040034 | .01005023 |
| 6 | 5s | 30.738530 | .00077585 |
| 7 | 4s | 65.027615 | -.00006160 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120023 | < R2 > | .019362 | < 1/R > | 12.604224 | < 1/R**2 > | 320.710745 |
Total Energy= -231.88314869 a.u.
Kinetic Energy= 231.82635716 a.u.
Potential Energy= -463.70950584 a.u.
Virial Ratio = -2.00024497