(1s 2 2s 2 2p 6 4s 1 ) 2 S Al 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 10.746741 | .05111105 |
| 2 | 2s | 4.273517 | -.18424917 |
| 3 | 3s | 1.444839 | .81729287 |
| 4 | 4s | 1.028067 | -1.37425263 |
| 5 | 5s | 2.807469 | .08982588 |
| 6 | 5s | 13.465607 | -.00342101 |
| 7 | 2s | .290003 | -.02107614 |
| 8 | 3s | 54.135220 | -.00001349 |
| 9 | 5s | .446632 | .01135153 |
| ORB.ENERGY,a.u. | -.466760 | ||
| NORM | .999999 | < R > | 4.862519 | < R2 > | 26.627927 | < 1/R > | .280214 | < 1/R**2 > | .584106 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.149338 | .54135952 |
| 2 | 3p | 4.659122 | .45459373 |
| 3 | 4p | 3.739549 | .10193711 |
| 4 | 5p | 4.607113 | .00702130 |
| 5 | 2p | 13.771959 | .01117553 |
| 6 | 5p | 10.943774 | -.00853880 |
| 7 | 4p | 46.671920 | .00003291 |
| 8 | 4p | 3.049133 | .00304328 |
| 9 | 3p | 71.500603 | .00000378 |
| 10 | 5p | 1.284433 | -.00015826 |
| ORB.ENERGY,a.u. | -3.834300 | ||
| NORM | 1.000000 | < R > | .596716 | < R2 > | .448095 | < 1/R > | 2.214205 | < 1/R**2 > | 6.962350 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.769405 | .33373579 |
| 2 | 4s | 2.017939 | -.00589699 |
| 3 | 2s | 5.103173 | -.79958020 |
| 4 | 3s | 4.169114 | -.32975655 |
| 5 | 4s | 17.464062 | .01136663 |
| 6 | 3s | 28.036545 | .00209192 |
| 7 | 5s | 30.728001 | .00123378 |
| 8 | 5s | 2.154938 | .00432278 |
| 9 | 2s | 53.770505 | .00006985 |
| ORB.ENERGY,a.u. | -5.537100 | ||
| NORM | 1.000000 | < R > | .619467 | < R2 > | .457793 | < 1/R > | 2.350368 | < 1/R**2 > | 22.818514 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.586516 | 1.01575114 |
| 2 | 2s | 17.932657 | -.02458904 |
| 3 | 3s | 8.796622 | .02359580 |
| 4 | 4s | 40.539280 | -.00023242 |
| 5 | 4s | 30.264858 | .00036112 |
| 6 | 2s | 63.933927 | .00003182 |
| 7 | 5s | 10.844535 | -.00897513 |
| 8 | 3s | 4.329724 | .00028052 |
| 9 | 2s | 120.514634 | -.00000025 |
| ORB.ENERGY,a.u. | -58.530000 |
| NORM | 1.000000 | < R > | .120256 | < R2 > | .019458 | < 1/R > | 12.589433 | < 1/R**2 > | 320.138261 |
Total Energy= -240.46657121 a.u.
Kinetic Energy= 240.46656867 a.u.
Potential Energy= -480.93313988 a.u.
Virial Ratio = -2.00000001