(1s 2 2s 2 2p 5 3s 1 ) 1 P Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1130.
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 | 3s- electron | |
| 1 | 1s | 10.873438 | .10275226 |
| 2 | 2s | 4.036402 | -.41571208 |
| 3 | 3s | 1.924155 | 1.10238117 |
| 4 | 4s | 10.578736 | -.01241443 |
| 5 | 5s | 4.668389 | -.04288268 |
| 6 | 4s | 1.682046 | .03347279 |
| 7 | 5s | 29.402065 | .00022849 |
| ORB.ENERGY,a.u. | -1.554700 | ||
| NORM | 1.000000 | < R > | 1.980814 | < R2 > | 4.431830 | < 1/R > | .663534 | < 1/R**2 > | 2.395705 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.771181 | 1.31431076 |
| 2 | 3p | 4.452100 | -.41247634 |
| 3 | 2p | 9.402952 | .09335722 |
| 4 | 4p | 11.144637 | .01913811 |
| 5 | 3p | 42.538245 | .00002410 |
| 6 | 5p | 2.621915 | .01285368 |
| 7 | 4p | 2.312506 | -.01400528 |
| ORB.ENERGY,a.u. | -4.995300 | ||
| NORM | 1.000000 | < R > | .567492 | < R2 > | .401392 | < 1/R > | 2.303389 | < 1/R**2 > | 7.452143 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.757615 | .30183385 |
| 2 | 2s | 4.097881 | -.77179854 |
| 3 | 3s | 7.470731 | -.23090001 |
| 4 | 4s | 6.005897 | -.05574634 |
| 5 | 5s | 15.219346 | -.00962523 |
| 6 | 5s | 2.420779 | .00698212 |
| 7 | 4s | 60.700108 | -.00003220 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .599302 | < R2 > | .425364 | < 1/R > | 2.425510 | < 1/R**2 > | 24.180035 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.210914 | .91586752 |
| 2 | 1s | 18.188542 | .08117095 |
| 3 | 2s | 7.823164 | .01762094 |
| 4 | 3s | 10.232430 | -.01586467 |
| 5 | 4s | 12.471964 | .00849487 |
| 6 | 5s | 31.649973 | .00105313 |
| 7 | 4s | 77.934241 | -.00002916 |
| 8 | 5s | 2.512109 | -.00044020 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120156 | < R2 > | .019418 | < 1/R > | 12.595733 | < 1/R**2 > | 320.380297 |
Total Energy= -237.21464618 a.u.
Kinetic Energy= 237.19497528 a.u.
Potential Energy= -474.40962146 a.u.
Virial Ratio = -2.00008293