(1s 2 2s 2 2p 4 4p 1 ) 2 S Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2041.
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 | 4p- electron | |
| 1 | 2p | 5.889294 | .16785081 |
| 2 | 3p | 1.086590 | 1.98787397 |
| 3 | 4p | 2.174938 | -1.35603471 |
| 4 | 5p | 4.012691 | -.15421080 |
| 5 | 3p | 9.562800 | -.01076594 |
| 6 | 5p | 1.041967 | -.31934187 |
| 7 | 4p | 12.919993 | .00193360 |
| 8 | 4p | .665579 | .19381233 |
| 9 | 5p | 69.225779 | .00000482 |
| 10 | 5p | .684669 | -.09472985 |
| ORB.ENERGY,a.u. | -.949360 | ||
| NORM | 1.000000 | < R > | 3.777853 | < R2 > | 16.132279 | < 1/R > | .367835 | < 1/R**2 > | .394638 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.178453 | 1.23705215 |
| 2 | 3p | 4.946794 | -.30717731 |
| 3 | 2p | 10.034064 | .06614619 |
| 4 | 4p | 11.604307 | .01412876 |
| 5 | 5p | 1.449153 | .00103942 |
| 6 | 5p | 30.040971 | -.00015660 |
| ORB.ENERGY,a.u. | -6.544400 | ||
| NORM | 1.000000 | < R > | .537331 | < R2 > | .356287 | < 1/R > | 2.406161 | < 1/R**2 > | 8.039876 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.574453 | .36277113 |
| 2 | 2s | 5.238337 | -.83619300 |
| 3 | 3s | 4.651786 | -.29464947 |
| 4 | 4s | 15.428148 | .00834034 |
| 5 | 3s | 16.551155 | .00621115 |
| 6 | 5s | 30.446230 | .00057808 |
| 7 | 5s | 4.509113 | -.00506880 |
| 8 | 4s | 1.540405 | .00018847 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .585685 | < R2 > | .405528 | < 1/R > | 2.485197 | < 1/R**2 > | 25.312504 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252282 | .92413725 |
| 2 | 1s | 18.433007 | .07294003 |
| 3 | 2s | 7.112329 | .02046791 |
| 4 | 3s | 8.765355 | -.02081742 |
| 5 | 4s | 11.083534 | .00997669 |
| 6 | 5s | 30.720687 | .00082823 |
| 7 | 4s | 66.549511 | -.00005693 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120009 | < R2 > | .019357 | < 1/R > | 12.605097 | < 1/R**2 > | 320.744961 |
Total Energy= -231.00568717 a.u.
Kinetic Energy= 230.99658929 a.u.
Potential Energy= -462.00227646 a.u.
Virial Ratio = -2.00003939