(1s 2 2s 2 2p 1 4p 1 ) 3 D Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3241.
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 | 5.847251 | .28011833 |
| 2 | 3p | 2.182933 | -.64065872 |
| 3 | 5p | 2.356177 | 1.21995426 |
| 4 | 4p | 3.405724 | -.53023890 |
| 5 | 5p | 7.353792 | .03066904 |
| 6 | 4p | 17.634237 | -.00306861 |
| 7 | 5p | 2.087592 | .36195996 |
| 8 | 5p | 39.101668 | -.00032999 |
| 9 | 4p | 60.174931 | -.00006623 |
| ORB.ENERGY,a.u. | -2.209800 | ||
| NORM | 1.000000 | < R > | 2.606177 | < R2 > | 7.681594 | < 1/R > | .542792 | < 1/R**2 > | .823145 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.184535 | 1.08469644 |
| 2 | 3p | 6.440857 | -.10599506 |
| 3 | 2p | 12.046532 | .01937330 |
| 4 | 5p | 13.542121 | .00351220 |
| 5 | 4p | 25.429236 | -.00087014 |
| 6 | 5p | 5.377032 | .00607423 |
| 7 | 5p | 76.913228 | -.00002022 |
| ORB.ENERGY,a.u. | -11.647000 | ||
| NORM | 1.000000 | < R > | .471911 | < R2 > | .270062 | < 1/R > | 2.684596 | < 1/R**2 > | 9.781400 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.337206 | .35639656 |
| 2 | 2s | 4.737009 | -.80150658 |
| 3 | 3s | 7.001124 | -.27877135 |
| 4 | 4s | 2.519984 | .00045635 |
| 5 | 4s | 24.583961 | .00144224 |
| 6 | 5s | 13.667281 | -.01297397 |
| 7 | 5s | 5.315838 | .01792621 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .539365 | < R2 > | .340726 | < 1/R > | 2.708722 | < 1/R**2 > | 29.708477 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.172144 | .92327988 |
| 2 | 1s | 18.775548 | .07787511 |
| 3 | 2s | 10.755513 | .01818519 |
| 4 | 3s | 13.545723 | -.01669618 |
| 5 | 4s | 64.939472 | -.00006828 |
| 6 | 5s | 30.090697 | .00089217 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119348 | < R2 > | .019095 | < 1/R > | 12.648998 | < 1/R**2 > | 322.468703 |
Total Energy= -205.96084801 a.u.
Kinetic Energy= 205.97854223 a.u.
Potential Energy= -411.93939024 a.u.
Virial Ratio = -1.99991410