(1s 2 2s 2 2p 4 3p 1 ) 4 S Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4031.
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 | 3.964936 | .29982666 |
| 2 | 3p | 1.918798 | -.85244231 |
| 3 | 4p | 2.480295 | -.22341876 |
| 4 | 2p | 7.721113 | .08018998 |
| 5 | 5p | 11.476683 | .00511349 |
| 6 | 5p | 30.523999 | -.00040115 |
| 7 | 4p | 46.192880 | -.00007282 |
| ORB.ENERGY,a.u. | -1.831500 | ||
| NORM | 1.000000 | < R > | 1.888715 | < R2 > | 4.063998 | < 1/R > | .698259 | < 1/R**2 > | 1.043372 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.145209 | 1.24620428 |
| 2 | 3p | 4.871375 | -.31937384 |
| 3 | 2p | 9.985579 | .06849808 |
| 4 | 4p | 11.633338 | .01416334 |
| 5 | 5p | 29.649083 | -.00016237 |
| 6 | 5p | 1.902528 | -.00047529 |
| ORB.ENERGY,a.u. | -6.206200 | ||
| NORM | 1.000000 | < R > | .537745 | < R2 > | .356829 | < 1/R > | 2.404499 | < 1/R**2 > | 8.029735 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.579764 | .36180043 |
| 2 | 2s | 5.230853 | -.83565592 |
| 3 | 3s | 4.631801 | -.29514746 |
| 4 | 4s | 15.768238 | .00978233 |
| 5 | 3s | 17.923830 | .00464377 |
| 6 | 5s | 30.801262 | .00057449 |
| 7 | 5s | 4.055629 | -.00523041 |
| 8 | 4s | 1.330870 | -.00004450 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .586936 | < R2 > | .407511 | < 1/R > | 2.480316 | < 1/R**2 > | 25.222289 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.251008 | .92408703 |
| 2 | 1s | 18.435371 | .07299180 |
| 3 | 2s | 7.079413 | .02059819 |
| 4 | 3s | 8.697313 | -.02101416 |
| 5 | 4s | 11.001210 | .01010136 |
| 6 | 5s | 30.676494 | .00079831 |
| 7 | 4s | 65.687100 | -.00005958 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120024 | < R2 > | .019363 | < 1/R > | 12.604112 | < 1/R**2 > | 320.705959 |
Total Energy= -231.90501147 a.u.
Kinetic Energy= 231.87839893 a.u.
Potential Energy= -463.78341040 a.u.
Virial Ratio = -2.00011477