(1s 2 2s 2 2p 1 4p 1 ) 3 S Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3041.
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 | 4p- electron | |
| 1 | 2p | 5.860451 | .27599801 |
| 2 | 3p | 2.151445 | -.63729157 |
| 3 | 5p | 2.338259 | 1.24394432 |
| 4 | 4p | 3.371873 | -.54150325 |
| 5 | 5p | 7.231030 | .03119646 |
| 6 | 4p | 17.534516 | -.00294764 |
| 7 | 5p | 2.075415 | .34740848 |
| 8 | 5p | 37.921874 | -.00034104 |
| 9 | 4p | 57.537150 | -.00007287 |
| ORB.ENERGY,a.u. | -2.194100 | ||
| NORM | 1.000000 | < R > | 2.622262 | < R2 > | 7.776402 | < 1/R > | .539027 | < 1/R**2 > | .811467 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.183410 | 1.08641979 |
| 2 | 3p | 6.443793 | -.10819369 |
| 3 | 2p | 12.142447 | .01903961 |
| 4 | 5p | 13.710070 | .00455530 |
| 5 | 4p | 26.808995 | -.00061172 |
| 6 | 5p | 5.140996 | .00680542 |
| 7 | 5p | 84.051043 | -.00001170 |
| 8 | 4p | 3.307146 | -.00136278 |
| ORB.ENERGY,a.u. | -11.632000 | ||
| NORM | 1.000000 | < R > | .471630 | < R2 > | .269746 | < 1/R > | 2.686202 | < 1/R**2 > | 9.792645 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.325835 | .35693587 |
| 2 | 2s | 4.751950 | -.80016077 |
| 3 | 3s | 6.995021 | -.27950984 |
| 4 | 4s | 24.262830 | .00162801 |
| 5 | 5s | 13.621357 | -.01222290 |
| 6 | 5s | 5.238000 | .01555412 |
| 7 | 4s | 2.224775 | .00030164 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .539360 | < R2 > | .340720 | < 1/R > | 2.708754 | < 1/R**2 > | 29.709204 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.171429 | .92320446 |
| 2 | 1s | 18.775189 | .07795866 |
| 3 | 2s | 10.765855 | .01822146 |
| 4 | 3s | 13.559744 | -.01676694 |
| 5 | 4s | 65.591622 | -.00006672 |
| 6 | 5s | 30.012314 | .00091472 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119348 | < R2 > | .019095 | < 1/R > | 12.648990 | < 1/R**2 > | 322.468388 |
Total Energy= -205.96090977 a.u.
Kinetic Energy= 205.96280177 a.u.
Potential Energy= -411.92371153 a.u.
Virial Ratio = -1.99999081