(1s 2 2s 2 2p 1 3p 1 ) 3 D Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3231.
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 | 4.126309 | .60229638 |
| 2 | 3p | 2.834324 | -1.29914342 |
| 3 | 2p | 8.605662 | .07053932 |
| 4 | 4p | 9.950039 | .01817043 |
| 5 | 5p | 2.751317 | .03597053 |
| 6 | 4p | 2.427024 | -.02523612 |
| 7 | 5p | 16.923186 | .00144207 |
| ORB.ENERGY,a.u. | -4.102600 | ||
| NORM | 1.000000 | < R > | 1.360141 | < R2 > | 2.115798 | < 1/R > | .997953 | < 1/R**2 > | 2.063350 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.193306 | 1.08465113 |
| 2 | 3p | 6.401600 | -.10548329 |
| 3 | 2p | 12.052325 | .01922448 |
| 4 | 5p | 13.154300 | .00319553 |
| 5 | 4p | 24.999236 | -.00101020 |
| 6 | 5p | 5.086551 | .01157947 |
| 7 | 5p | 75.572187 | -.00002401 |
| 8 | 4p | 4.383122 | -.00460753 |
| ORB.ENERGY,a.u. | -11.322000 | ||
| NORM | 1.000000 | < R > | .471175 | < R2 > | .269322 | < 1/R > | 2.689132 | < 1/R**2 > | 9.813452 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.343926 | .35489152 |
| 2 | 2s | 4.724507 | -.80095727 |
| 3 | 3s | 6.995662 | -.27803359 |
| 4 | 4s | 24.563646 | .00145940 |
| 5 | 5s | 13.654480 | -.01248429 |
| 6 | 5s | 5.515409 | .01562959 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .541271 | < R2 > | .343416 | < 1/R > | 2.699498 | < 1/R**2 > | 29.525211 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.170323 | .92372534 |
| 2 | 1s | 18.831827 | .07730520 |
| 3 | 2s | 10.963324 | .01814801 |
| 4 | 3s | 13.816386 | -.01653518 |
| 5 | 4s | 67.770807 | -.00005884 |
| 6 | 5s | 29.998024 | .00100879 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119381 | < R2 > | .019108 | < 1/R > | 12.646573 | < 1/R**2 > | 322.371364 |
Total Energy= -207.81460465 a.u.
Kinetic Energy= 207.86993987 a.u.
Potential Energy= -415.68454453 a.u.
Virial Ratio = -1.99973380