(1s 2 2s 2 2p 6 3s 2 3p 1 ) 2 P Al 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p | 4.517318 | -.13142690 |
| 2 | 2p | 3.449637 | .34140884 |
| 3 | 2p | .702193 | -.86704955 |
| 4 | 3p | 1.373300 | -.18611780 |
| 5 | 2p | 9.312438 | .01239161 |
| 6 | 4p | 22.706216 | -.00033319 |
| 7 | 5p | .592198 | -.01629407 |
| 8 | 5p | 69.049354 | -.00000954 |
| 9 | 3p | .468264 | .02426412 |
| ORB.ENERGY,a.u. | -.201720 | ||
| NORM | 1.000000 | < R > | 3.433893 | < R2 > | 14.006320 | < 1/R > | .379282 | < 1/R**2 > | .310545 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 7.252226 | -.03421749 |
| 2 | 1s | 9.852917 | .10613869 |
| 3 | 1s | 18.736140 | .00132579 |
| 4 | 2s | 4.344332 | -.25817116 |
| 5 | 3s | 1.304008 | .76093422 |
| 6 | 4s | 2.466127 | .24182505 |
| 7 | 5s | 1.129949 | .07578966 |
| 8 | 5s | 13.462301 | -.00338123 |
| 9 | 3s | 41.970279 | -.00001935 |
| ORB.ENERGY,a.u. | -.473950 | ||
| NORM | 1.000000 | < R > | 2.599278 | < R2 > | 7.890675 | < 1/R > | .506785 | < 1/R**2 > | 1.359442 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 13.581550 | .01223364 |
| 2 | 5p | 10.735214 | -.01044741 |
| 3 | 2p | 6.100463 | .54438800 |
| 4 | 3p | 4.697870 | .43376498 |
| 5 | 4p | 3.862430 | .12438437 |
| 6 | 5p | 3.063512 | .01046196 |
| 7 | 3p | 33.791723 | .00004243 |
| 8 | 4p | 1.422440 | .00086284 |
| ORB.ENERGY,a.u. | -3.027200 | ||
| NORM | 1.000000 | < R > | .600542 | < R2 > | .455356 | < 1/R > | 2.205108 | < 1/R**2 > | 6.915851 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.546941 | .34418419 |
| 2 | 2s | 4.444376 | -.77017839 |
| 3 | 3s | 3.919085 | -.17122325 |
| 4 | 3s | 12.587209 | .01473573 |
| 5 | 2s | 6.201115 | -.18851258 |
| 6 | 4s | 21.229742 | .00194000 |
| 7 | 5s | 3.421961 | -.00324294 |
| 8 | 3s | .958348 | -.00009697 |
| 9 | 5s | 86.445595 | -.00000453 |
| ORB.ENERGY,a.u. | -4.716900 | ||
| NORM | 1.000000 | < R > | .620025 | < R2 > | .458897 | < 1/R > | 2.349007 | < 1/R**2 > | 22.797473 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.586382 | 1.01574888 |
| 2 | 2s | 17.931692 | -.02459125 |
| 3 | 3s | 8.781942 | .02364084 |
| 4 | 4s | 40.773650 | -.00022001 |
| 5 | 4s | 29.781768 | .00036563 |
| 6 | 2s | 64.472108 | .00003092 |
| 7 | 5s | 10.826772 | -.00903051 |
| 8 | 3s | 4.321658 | .00027880 |
| 9 | 2s | 126.300592 | -.00000026 |
| 10 | 5s | 2.261593 | -.00000451 |
| ORB.ENERGY,a.u. | -57.648000 |
| NORM | 1.000000 | < R > | .120258 | < R2 > | .019459 | < 1/R > | 12.589249 | < 1/R**2 > | 320.129386 |
Total Energy= -241.87670589 a.u.
Kinetic Energy= 241.87673964 a.u.
Potential Energy= -483.75344553 a.u.
Virial Ratio = -1.99999986