(1s 2 2s 2 2p 2 5p 1 ) 4 S Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4051.
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 | 2p | 3.389216 | .29626258 |
| 2 | 3p | 1.784753 | -2.73810052 |
| 3 | 4p | 1.547903 | 6.66809935 |
| 4 | 5p | 1.483282 | -4.74670328 |
| 5 | 4p | 1.163772 | -.10812625 |
| 6 | 2p | 7.865630 | .03345677 |
| 7 | 5p | 22.013711 | -.00076420 |
| 8 | 4p | 32.187708 | -.00021452 |
| ORB.ENERGY,a.u. | -1.074600 | ||
| NORM | 1.000002 | < R > | 4.758157 | < R2 > | 25.451838 | < 1/R > | .294158 | < 1/R**2 > | .272633 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.059010 | 1.26065072 |
| 2 | 3p | 6.720566 | -.32001743 |
| 3 | 4p | 8.477923 | .05536156 |
| 4 | 5p | 1.946568 | .12198550 |
| 5 | 4p | 1.597619 | -.10323220 |
| 6 | 5p | 23.232799 | -.00181158 |
| 7 | 4p | 29.471292 | -.00095061 |
| 8 | 3p | 3.210819 | .00815042 |
| 9 | 3p | 39.952083 | -.00009029 |
| 10 | 5p | 1.329442 | -.02357688 |
| ORB.ENERGY,a.u. | -10.152000 | ||
| NORM | 1.000000 | < R > | .490482 | < R2 > | .299078 | < 1/R > | 2.600338 | < 1/R**2 > | 9.226716 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.525666 | .38741652 |
| 2 | 2s | 5.404661 | -.83570092 |
| 3 | 3s | 5.645912 | -.27283720 |
| 4 | 4s | 21.157107 | .00248526 |
| 5 | 3s | 12.757497 | .01552418 |
| 6 | 5s | 5.595342 | -.03659892 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .553664 | < R2 > | .359931 | < 1/R > | 2.634476 | < 1/R**2 > | 28.215778 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159078 | .91996707 |
| 2 | 1s | 18.806053 | .07951787 |
| 3 | 2s | 11.285538 | .01919764 |
| 4 | 3s | 14.397872 | -.01548839 |
| 5 | 5s | 30.660093 | .00111349 |
| 6 | 4s | 73.332387 | -.00004101 |
| 7 | 5s | 9.812219 | .00056136 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119601 | < R2 > | .019195 | < 1/R > | 12.631952 | < 1/R**2 > | 321.796881 |
Total Energy= -215.30841156 a.u.
Kinetic Energy= 215.30476079 a.u.
Potential Energy= -430.61317236 a.u.
Virial Ratio = -2.00001696