(1s 2 2s 2 2p 1 5d 1 ) 3 P Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3152.
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 | 2.059223 | 1.47674708 |
| 2 | 4d | 1.719549 | -4.32890355 |
| 3 | 5d | 1.594027 | 3.55168763 |
| 4 | 3d | 4.928134 | .04405935 |
| 5 | 5d | 7.126844 | -.00808444 |
| 6 | 5d | 1.280244 | -.02413637 |
| 7 | 4d | 29.084791 | .00004732 |
| 8 | 3d | 55.422724 | .00000182 |
| ORB.ENERGY,a.u. | -1.306900 | ||
| NORM | 1.000000 | < R > | 4.211148 | < R2 > | 20.141821 | < 1/R > | .331704 | < 1/R**2 > | .229747 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.176659 | 1.08438568 |
| 2 | 3p | 6.440762 | -.10435758 |
| 3 | 2p | 12.196503 | .01902876 |
| 4 | 5p | 14.395769 | .00313145 |
| 5 | 4p | 25.624534 | -.00068266 |
| 6 | 5p | 5.460453 | .00497558 |
| 7 | 5p | 76.268908 | -.00001576 |
| ORB.ENERGY,a.u. | -11.791000 | ||
| NORM | 1.000000 | < R > | .472448 | < R2 > | .270624 | < 1/R > | 2.681381 | < 1/R**2 > | 9.758775 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.339783 | .35667463 |
| 2 | 2s | 4.734459 | -.80261136 |
| 3 | 3s | 7.002661 | -.27844748 |
| 4 | 4s | 24.861800 | .00130933 |
| 5 | 5s | 13.733263 | -.01360115 |
| 6 | 5s | 5.314006 | .02023511 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .538785 | < R2 > | .339954 | < 1/R > | 2.711754 | < 1/R**2 > | 29.769386 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.175213 | .92352176 |
| 2 | 1s | 18.807807 | .07742892 |
| 3 | 2s | 11.025241 | .01797367 |
| 4 | 3s | 13.753247 | -.01643768 |
| 5 | 4s | 68.350055 | -.00005588 |
| 6 | 5s | 30.184385 | .00102560 |
| 7 | 5s | 7.815981 | .00008931 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119327 | < R2 > | .019088 | < 1/R > | 12.650542 | < 1/R**2 > | 322.531281 |
Total Energy= -205.08236114 a.u.
Kinetic Energy= 205.07665421 a.u.
Potential Energy= -410.15901536 a.u.
Virial Ratio = -2.00002783