(1s 2 2s 1 3s 1 ) 1 S Al 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 3s- electron | |
| 1 | 1s | 7.130536 | .13667150 |
| 2 | 2s | 4.193994 | -.73177514 |
| 3 | 3s | 3.413417 | 1.62660294 |
| 4 | 4s | 6.249410 | -.18410064 |
| 5 | 5s | 10.140009 | -.00587678 |
| 6 | 4s | 23.255782 | .00095591 |
| 7 | 5s | 3.033129 | -.03321449 |
| 8 | 4s | 2.547433 | .01909225 |
| 9 | 2s | 72.105427 | -.00000300 |
| ORB.ENERGY,a.u. | -6.143900 | ||
| NORM | 1.000000 | < R > | 1.256128 | < R2 > | 1.717246 | < 1/R > | .898634 | < 1/R**2 > | 1.761021 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.799913 | .39414160 |
| 2 | 2s | 5.507902 | -.51563930 |
| 3 | 3s | 6.842418 | -.67452607 |
| 4 | 4s | 3.810043 | .32768754 |
| 5 | 5s | 13.571137 | -.01998032 |
| 6 | 4s | 35.432411 | -.00127018 |
| 7 | 3s | 24.608920 | .00494597 |
| 8 | 2s | 55.464095 | .00015469 |
| 9 | 5s | 2.479771 | .01376695 |
| 10 | 3s | 2.004207 | -.02387351 |
| ORB.ENERGY,a.u. | -15.347000 | ||
| NORM | 1.000000 | < R > | .485764 | < R2 > | .299979 | < 1/R > | 3.155668 | < 1/R**2 > | 39.928056 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.432887 | .94029552 |
| 2 | 1s | 20.048295 | .04903656 |
| 3 | 2s | 15.057362 | .01475009 |
| 4 | 3s | 9.402626 | .00232191 |
| 5 | 4s | 52.587943 | -.00052027 |
| 6 | 5s | 70.362807 | .00018990 |
| 7 | 5s | 5.419256 | .00030986 |
| ORB.ENERGY,a.u. | -71.915000 |
| NORM | 1.000000 | < R > | .119033 | < R2 > | .018980 | < 1/R > | 12.672312 | < 1/R**2 > | 323.424753 |
Total Energy= -183.33554861 a.u.
Kinetic Energy= 183.31922031 a.u.
Potential Energy= -366.65476892 a.u.
Virial Ratio = -2.00008907