(1s 2 2s 2 2p 5 3p 1 ) 1 P Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3p- electron | |
| 1 | 2p | 3.684706 | .39115501 |
| 2 | 3p | 1.683524 | -1.07029790 |
| 3 | 4p | 5.711806 | -.07740079 |
| 4 | 2p | 9.718180 | .03020499 |
| 5 | 5p | 15.284350 | .00359318 |
| 6 | 5p | 1.255672 | -.01186479 |
| 7 | 4p | 1.045879 | .00890032 |
| 8 | 4p | 21.317955 | .00064864 |
| 9 | 3p | 38.490108 | .00002323 |
| ORB.ENERGY,a.u. | -1.271600 | ||
| NORM | 1.000000 | < R > | 2.165824 | < R2 > | 5.355745 | < 1/R > | .605950 | < 1/R**2 > | .801153 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.791152 | 1.30736955 |
| 2 | 3p | 4.478037 | -.40404684 |
| 3 | 2p | 9.569919 | .08892224 |
| 4 | 4p | 11.200449 | .02191046 |
| 5 | 5p | 24.871582 | .00045562 |
| 6 | 5p | 2.612535 | .01069746 |
| 7 | 4p | 43.066259 | .00008494 |
| 8 | 4p | 2.289053 | -.01141924 |
| ORB.ENERGY,a.u. | -4.958600 | ||
| NORM | 1.000000 | < R > | .566587 | < R2 > | .399957 | < 1/R > | 2.306208 | < 1/R**2 > | 7.467860 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.650821 | .34829631 |
| 2 | 2s | 5.131168 | -.82699394 |
| 3 | 3s | 4.352630 | -.30187718 |
| 4 | 4s | 16.673532 | .00501374 |
| 5 | 3s | 15.295263 | .00680385 |
| 6 | 5s | 33.536371 | .00031138 |
| 7 | 5s | 3.395909 | -.00250734 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .603354 | < R2 > | .432403 | < 1/R > | 2.412295 | < 1/R**2 > | 23.948947 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.196360 | .91372950 |
| 2 | 1s | 18.086800 | .08394075 |
| 3 | 2s | 7.001794 | .01941392 |
| 4 | 3s | 8.827873 | -.02060539 |
| 5 | 4s | 11.166884 | .01076423 |
| 6 | 5s | 31.079331 | .00091702 |
| 7 | 4s | 70.970932 | -.00004258 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120160 | < R2 > | .019418 | < 1/R > | 12.595460 | < 1/R**2 > | 320.370512 |
Total Energy= -236.92461958 a.u.
Kinetic Energy= 236.91410277 a.u.
Potential Energy= -473.83872235 a.u.
Virial Ratio = -2.00004439