(1s 2 2s 2 2p 1 4p 1 ) 3 P Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 5.326807 | .21765944 |
| 2 | 3p | 2.457119 | -.90735339 |
| 3 | 5p | 2.334997 | 1.33232798 |
| 4 | 4p | 3.467641 | -.25779666 |
| 5 | 5p | 6.660370 | .04477350 |
| 6 | 4p | 15.708242 | -.00332164 |
| 7 | 5p | 2.002224 | .18431931 |
| 8 | 5p | 35.441163 | -.00037150 |
| 9 | 4p | 53.900811 | -.00007359 |
| ORB.ENERGY,a.u. | -2.207100 | ||
| NORM | 1.000000 | < R > | 2.599718 | < R2 > | 7.626304 | < 1/R > | .494960 | < 1/R**2 > | .476147 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.365690 | 1.04910975 |
| 2 | 3p | 2.970852 | -.13227032 |
| 3 | 2p | 16.994166 | .00697919 |
| 4 | 5p | 5.837916 | .05081596 |
| 5 | 4p | 9.695724 | -.02986618 |
| 6 | 5p | 2.244527 | .14139517 |
| 7 | 3p | 25.145785 | .00031665 |
| ORB.ENERGY,a.u. | -11.645000 | ||
| NORM | 1.000000 | < R > | .480293 | < R2 > | .335549 | < 1/R > | 2.731940 | < 1/R**2 > | 10.123563 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.331248 | .35668029 |
| 2 | 2s | 4.742133 | -.80171458 |
| 3 | 3s | 7.009096 | -.27883409 |
| 4 | 4s | 24.255884 | .00162889 |
| 5 | 5s | 13.623136 | -.01216019 |
| 6 | 5s | 5.266295 | .01698616 |
| 7 | 4s | 2.274979 | .00032706 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .539359 | < R2 > | .340718 | < 1/R > | 2.708757 | < 1/R**2 > | 29.709218 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.172129 | .92325661 |
| 2 | 1s | 18.774111 | .07789772 |
| 3 | 2s | 10.753880 | .01818285 |
| 4 | 3s | 13.545233 | -.01669431 |
| 5 | 4s | 65.000707 | -.00006801 |
| 6 | 5s | 30.094918 | .00089423 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119347 | < R2 > | .019095 | < 1/R > | 12.649011 | < 1/R**2 > | 322.469313 |
Total Energy= -205.97268434 a.u.
Kinetic Energy= 205.97582680 a.u.
Potential Energy= -411.94851114 a.u.
Virial Ratio = -1.99998474