(1s 2 2s 2 2p 1 4p 1 ) 1 D Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1241.
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 | 5.365381 | .20712754 |
| 2 | 3p | 2.386026 | -.90686535 |
| 3 | 5p | 2.327558 | 1.33986804 |
| 4 | 4p | 3.422919 | -.28726509 |
| 5 | 5p | 6.682773 | .04960550 |
| 6 | 4p | 14.787404 | -.00361469 |
| 7 | 5p | 2.006147 | .21260396 |
| 8 | 5p | 33.628360 | -.00045450 |
| 9 | 4p | 51.613171 | -.00008665 |
| ORB.ENERGY,a.u. | -2.187300 | ||
| NORM | 1.000000 | < R > | 2.622102 | < R2 > | 7.753680 | < 1/R > | .489272 | < 1/R**2 > | .460209 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.183478 | 1.03530914 |
| 2 | 3p | 2.582329 | -.12004779 |
| 3 | 2p | 11.798438 | .03133169 |
| 4 | 5p | 9.283147 | -.02328121 |
| 5 | 5p | 2.279602 | .14879398 |
| 6 | 4p | 25.262534 | -.00062487 |
| 7 | 3p | 1.365663 | .00645542 |
| 8 | 5p | 85.308229 | -.00000628 |
| ORB.ENERGY,a.u. | -11.625000 | ||
| NORM | 1.000000 | < R > | .478997 | < R2 > | .332741 | < 1/R > | 2.734714 | < 1/R**2 > | 10.138016 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.327221 | .35687923 |
| 2 | 2s | 4.749316 | -.80063167 |
| 3 | 3s | 6.998310 | -.27935428 |
| 4 | 4s | 24.262890 | .00162755 |
| 5 | 5s | 13.623709 | -.01219388 |
| 6 | 5s | 5.253753 | .01600952 |
| 7 | 4s | 2.252736 | .00031687 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .539348 | < R2 > | .340704 | < 1/R > | 2.708817 | < 1/R**2 > | 29.710559 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.172094 | .92324301 |
| 2 | 1s | 18.771842 | .07792057 |
| 3 | 2s | 10.742970 | .01818888 |
| 4 | 3s | 13.537452 | -.01671079 |
| 5 | 4s | 65.138055 | -.00006850 |
| 6 | 5s | 30.052409 | .00089485 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119348 | < R2 > | .019095 | < 1/R > | 12.649003 | < 1/R**2 > | 322.469000 |
Total Energy= -205.97230104 a.u.
Kinetic Energy= 205.95613130 a.u.
Potential Energy= -411.92843233 a.u.
Virial Ratio = -2.00007851