(1s 2 2s 2 2p 6 3s 2 5p 1 ) 2 P Al 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 3p | 1.287771 | -.03205365 |
| 2 | 2p | .703056 | -.21921996 |
| 3 | 2p | 5.228059 | .03763234 |
| 4 | 4p | 4.306852 | .01926373 |
| 5 | 4p | .430642 | .89891154 |
| 6 | 5p | .281707 | -1.29604445 |
| 7 | 3p | 8.317756 | -.00344625 |
| 8 | 5p | 33.818634 | -.00002747 |
| ORB.ENERGY,a.u. | -.034890 | ||
| NORM | .999999 | < R > | 20.733071 | < R2 > | 483.581986 | < 1/R > | .065728 | < 1/R**2 > | .016541 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.445372 | -.04977952 |
| 2 | 1s | 9.756954 | .11306474 |
| 3 | 1s | 19.406252 | .00135141 |
| 4 | 2s | 4.203261 | -.26951874 |
| 5 | 3s | 1.400315 | .82316429 |
| 6 | 4s | 2.503801 | .20387321 |
| 7 | 5s | 1.280338 | .03362558 |
| 8 | 5s | 13.111242 | -.00332983 |
| 9 | 3s | 39.955245 | -.00003242 |
| ORB.ENERGY,a.u. | -.473950 | ||
| NORM | 1.000000 | < R > | 2.433106 | < R2 > | 6.817234 | < 1/R > | .539166 | < 1/R**2 > | 1.558065 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 13.550167 | .01234072 |
| 2 | 5p | 10.720164 | -.01037116 |
| 3 | 2p | 6.100054 | .54435303 |
| 4 | 3p | 4.698914 | .43365645 |
| 5 | 4p | 3.861446 | .12434866 |
| 6 | 5p | 3.088165 | .01034820 |
| 7 | 3p | 35.018897 | .00003837 |
| 8 | 4p | 1.608161 | .00061059 |
| ORB.ENERGY,a.u. | -3.027200 | ||
| NORM | 1.000000 | < R > | .600368 | < R2 > | .455027 | < 1/R > | 2.205577 | < 1/R**2 > | 6.918378 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.548151 | .34435882 |
| 2 | 2s | 4.447597 | -.77009992 |
| 3 | 3s | 3.927464 | -.17101660 |
| 4 | 3s | 12.612557 | .01453299 |
| 5 | 2s | 6.195769 | -.18833933 |
| 6 | 4s | 21.145245 | .00197686 |
| 7 | 5s | 3.540461 | -.00359202 |
| 8 | 5s | 89.994235 | -.00000526 |
| 9 | 4s | 2.493629 | .00027783 |
| ORB.ENERGY,a.u. | -4.716900 | ||
| NORM | 1.000000 | < R > | .619575 | < R2 > | .458141 | < 1/R > | 2.350614 | < 1/R**2 > | 22.826337 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.586514 | 1.01574990 |
| 2 | 2s | 17.925149 | -.02458764 |
| 3 | 3s | 8.778439 | .02364114 |
| 4 | 4s | 41.133635 | -.00021197 |
| 5 | 4s | 29.400002 | .00036668 |
| 6 | 2s | 65.631374 | .00002898 |
| 7 | 5s | 10.828142 | -.00905038 |
| 8 | 3s | 4.259220 | .00027349 |
| 9 | 2s | 127.655073 | -.00000028 |
| ORB.ENERGY,a.u. | -57.648000 |
| NORM | 1.000000 | < R > | .120254 | < R2 > | .019457 | < 1/R > | 12.589504 | < 1/R**2 > | 320.139107 |
Total Energy= -241.70956816 a.u.
Kinetic Energy= 241.70955147 a.u.
Potential Energy= -483.41911963 a.u.
Virial Ratio = -2.00000007