(1s 2 2s 2 2p 5 5p 1 ) 3 P Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 2p | 3.318023 | .11362423 |
| 2 | 3p | 1.407962 | -1.05725395 |
| 3 | 4p | 1.004844 | 3.04861947 |
| 4 | 5p | .888636 | -2.74664299 |
| 5 | 2p | 7.170090 | .04122422 |
| 6 | 5p | 10.090160 | .00355033 |
| 7 | 4p | 25.429366 | -.00021067 |
| ORB.ENERGY,a.u. | -.389170 | ||
| NORM | 1.000002 | < R > | 7.490076 | < R2 > | 63.090482 | < 1/R > | .189594 | < 1/R**2 > | .136931 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.842528 | 1.29816051 |
| 2 | 3p | 4.584549 | -.38724888 |
| 3 | 2p | 9.555555 | .08610344 |
| 4 | 4p | 11.147113 | .01908984 |
| 5 | 5p | 21.860222 | .00019050 |
| 6 | 5p | 3.068120 | .00823271 |
| 7 | 4p | 49.477031 | .00002537 |
| 8 | 4p | 2.864293 | -.01072095 |
| ORB.ENERGY,a.u. | -5.391000 | ||
| NORM | 1.000000 | < R > | .565375 | < R2 > | .397950 | < 1/R > | 2.309799 | < 1/R**2 > | 7.487651 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.647009 | .34913392 |
| 2 | 2s | 5.133906 | -.82865030 |
| 3 | 3s | 4.359224 | -.30099298 |
| 4 | 4s | 16.738294 | .00526878 |
| 5 | 3s | 15.442617 | .00652331 |
| 6 | 5s | 34.042155 | .00029314 |
| 7 | 5s | 3.643358 | -.00076857 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602079 | < R2 > | .430299 | < 1/R > | 2.416911 | < 1/R**2 > | 24.032118 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.197191 | .91349847 |
| 2 | 1s | 18.069941 | .08416739 |
| 3 | 2s | 6.981920 | .01941402 |
| 4 | 3s | 8.831691 | -.02060164 |
| 5 | 4s | 11.201803 | .01069357 |
| 6 | 5s | 30.966593 | .00096126 |
| 7 | 4s | 73.140711 | -.00004204 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120148 | < R2 > | .019413 | < 1/R > | 12.596280 | < 1/R**2 > | 320.402822 |
Total Energy= -236.03344514 a.u.
Kinetic Energy= 236.03194324 a.u.
Potential Energy= -472.06538838 a.u.
Virial Ratio = -2.00000636