(1s 2 2s 2 2p 1 5d 1 ) 3 D Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 5d- electron | |
| 1 | 3d | 2.088042 | 1.43706393 |
| 2 | 4d | 1.724123 | -4.23649629 |
| 3 | 5d | 1.595290 | 3.49888266 |
| 4 | 3d | 4.906380 | .03837046 |
| 5 | 5d | 1.244127 | -.01898408 |
| 6 | 5d | 7.473103 | -.00615440 |
| 7 | 4d | 25.067660 | .00007089 |
| 8 | 3d | 37.165328 | .00000698 |
| ORB.ENERGY,a.u. | -1.309500 | ||
| NORM | 1.000000 | < R > | 4.204807 | < R2 > | 20.079098 | < 1/R > | .331779 | < 1/R**2 > | .228650 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.172599 | 1.08464034 |
| 2 | 3p | 6.453784 | -.10399786 |
| 3 | 2p | 12.337236 | .01876228 |
| 4 | 5p | 14.747140 | .00389076 |
| 5 | 4p | 27.729966 | -.00036808 |
| 6 | 5p | 4.773324 | .00380393 |
| 7 | 5p | 88.840465 | -.00000560 |
| 8 | 4p | .965982 | -.00009739 |
| ORB.ENERGY,a.u. | -11.794000 | ||
| NORM | 1.000000 | < R > | .472432 | < R2 > | .270645 | < 1/R > | 2.681607 | < 1/R**2 > | 9.760334 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.339812 | .35667469 |
| 2 | 2s | 4.734435 | -.80260832 |
| 3 | 3s | 7.002823 | -.27845361 |
| 4 | 4s | 24.860198 | .00131022 |
| 5 | 5s | 13.732593 | -.01359830 |
| 6 | 5s | 5.314110 | .02023512 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .538784 | < R2 > | .339953 | < 1/R > | 2.711763 | < 1/R**2 > | 29.769604 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.175229 | .92351032 |
| 2 | 1s | 18.806975 | .07743893 |
| 3 | 2s | 11.022508 | .01797614 |
| 4 | 3s | 13.750972 | -.01643741 |
| 5 | 4s | 68.339529 | -.00005592 |
| 6 | 5s | 30.184348 | .00102508 |
| 7 | 5s | 7.799348 | .00008859 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119327 | < R2 > | .019088 | < 1/R > | 12.650539 | < 1/R**2 > | 322.531140 |
Total Energy= -205.08234257 a.u.
Kinetic Energy= 205.07930417 a.u.
Potential Energy= -410.16164674 a.u.
Virial Ratio = -2.00001482