(1s 2 2s 2 2p 2 3p 1 ) 2 P Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3.578301 | .61251522 |
| 2 | 3p | 2.534420 | -1.35056683 |
| 3 | 2p | 9.793973 | .03130779 |
| 4 | 4p | 6.803314 | -.03716296 |
| 5 | 5p | 16.138178 | .00216717 |
| 6 | 5p | 3.929212 | .03351690 |
| 7 | 4p | 18.634665 | .00024186 |
| ORB.ENERGY,a.u. | -3.160200 | ||
| NORM | 1.000000 | < R > | 1.567595 | < R2 > | 2.756875 | < 1/R > | .798550 | < 1/R**2 > | 1.189701 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.993293 | 1.32435152 |
| 2 | 3p | 6.641430 | -.39584499 |
| 3 | 2p | 1.433530 | -.07945056 |
| 4 | 4p | 8.382127 | .09462506 |
| 5 | 5p | 16.304449 | .00441409 |
| 6 | 5p | 2.064210 | .02705547 |
| 7 | 3p | 19.067923 | -.00020513 |
| 8 | 4p | 1.175707 | .00118327 |
| ORB.ENERGY,a.u. | -9.494000 | ||
| NORM | 1.000000 | < R > | .478789 | < R2 > | .276747 | < 1/R > | 2.636372 | < 1/R**2 > | 9.426708 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.539973 | .38528480 |
| 2 | 2s | 5.382344 | -.83657975 |
| 3 | 3s | 5.591229 | -.27315007 |
| 4 | 4s | 21.164429 | .00247292 |
| 5 | 3s | 12.800281 | .01492906 |
| 6 | 5s | 5.385898 | -.03382199 |
| 7 | 5s | 3.111972 | -.00035017 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .555661 | < R2 > | .362811 | < 1/R > | 2.625218 | < 1/R**2 > | 28.034896 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.157100 | .92034098 |
| 2 | 1s | 18.836073 | .07915481 |
| 3 | 2s | 11.311971 | .01919545 |
| 4 | 3s | 14.442482 | -.01546265 |
| 5 | 5s | 30.475069 | .00107834 |
| 6 | 4s | 71.906442 | -.00004557 |
| 7 | 5s | 10.500368 | .00064613 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119636 | < R2 > | .019208 | < 1/R > | 12.629534 | < 1/R**2 > | 321.700419 |
Total Energy= -217.46448504 a.u.
Kinetic Energy= 217.38915493 a.u.
Potential Energy= -434.85363997 a.u.
Virial Ratio = -2.00034652