(1s 2 2s 2 2p 2 5p 1 ) 4 D Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | 3.661525 | .26440210 |
| 2 | 3p | 1.856054 | -2.36080472 |
| 3 | 4p | 1.556894 | 6.22453425 |
| 4 | 5p | 1.498134 | -4.54242286 |
| 5 | 2p | 7.397373 | .05076896 |
| 6 | 5p | 22.700748 | -.00089263 |
| 7 | 4p | 1.216969 | -.21638440 |
| 8 | 4p | 33.281291 | -.00023854 |
| ORB.ENERGY,a.u. | -1.087900 | ||
| NORM | .999999 | < R > | 4.700704 | < R2 > | 24.839630 | < 1/R > | .305990 | < 1/R**2 > | .335646 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.840669 | 1.17752411 |
| 2 | 3p | 5.788525 | -.20106058 |
| 3 | 2p | 13.070290 | .01898016 |
| 4 | 4p | 14.751528 | .00851993 |
| 5 | 5p | 20.199286 | -.00137806 |
| 6 | 5p | 3.826253 | .00026220 |
| 7 | 3p | 30.276833 | .00019036 |
| ORB.ENERGY,a.u. | -10.165000 | ||
| NORM | 1.000000 | < R > | .490554 | < R2 > | .293042 | < 1/R > | 2.595643 | < 1/R**2 > | 9.198819 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.525362 | .38742698 |
| 2 | 2s | 5.405190 | -.83564143 |
| 3 | 3s | 5.644631 | -.27284561 |
| 4 | 4s | 21.105591 | .00248253 |
| 5 | 3s | 12.781493 | .01549175 |
| 6 | 5s | 5.599553 | -.03663874 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .553671 | < R2 > | .359940 | < 1/R > | 2.634434 | < 1/R**2 > | 28.214893 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159078 | .91997424 |
| 2 | 1s | 18.806279 | .07951171 |
| 3 | 2s | 11.285086 | .01919714 |
| 4 | 3s | 14.398375 | -.01548826 |
| 5 | 5s | 30.651297 | .00111429 |
| 6 | 4s | 73.368262 | -.00004108 |
| 7 | 5s | 9.803942 | .00055896 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119602 | < R2 > | .019195 | < 1/R > | 12.631931 | < 1/R**2 > | 321.795949 |
Total Energy= -215.30944603 a.u.
Kinetic Energy= 215.31792535 a.u.
Potential Energy= -430.62737138 a.u.
Virial Ratio = -1.99996062