(1s 2 2s 2 2p 6 3s 1 4p 1 ) 1 P Al +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 4p- electron | |
| 1 | 2p | 4.231695 | .08928032 |
| 2 | 2p | 8.668338 | .01557341 |
| 3 | 3p | 1.080675 | -.92188442 |
| 4 | 4p | .872723 | -.95672296 |
| 5 | 3p | .592114 | 2.23561830 |
| 6 | 5p | 3.025812 | -.03693996 |
| 7 | 4p | 10.585857 | .00310303 |
| ORB.ENERGY,a.u. | -.187920 | ||
| NORM | 1.000001 | < R > | 7.384629 | < R2 > | 62.879452 | < 1/R > | .193741 | < 1/R**2 > | .120318 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | .508684 | .02100798 |
| 2 | 1s | 5.892859 | .13669991 |
| 3 | 1s | 13.275890 | .02610257 |
| 4 | 2s | 5.317229 | -.35690922 |
| 5 | 3s | 1.501865 | .78908615 |
| 6 | 4s | 2.381011 | .23861873 |
| 7 | 5s | 5.830160 | -.06415700 |
| 8 | 4s | 45.356972 | -.00006862 |
| 9 | 2s | 28.641702 | -.00010244 |
| ORB.ENERGY,a.u. | -.645030 | ||
| NORM | 1.000000 | < R > | 2.274567 | < R2 > | 5.913994 | < 1/R > | .580255 | < 1/R**2 > | 1.861160 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.185995 | .52705976 |
| 2 | 3p | 4.988825 | .39058275 |
| 3 | 4p | 4.323136 | .16746539 |
| 4 | 5p | 3.650890 | .03160760 |
| 5 | 2p | 13.533366 | .01237814 |
| 6 | 5p | 10.659388 | -.01030725 |
| 7 | 4p | 52.727920 | .00001892 |
| 8 | 3p | 1.798220 | .00178233 |
| 9 | 5p | .703925 | -.00035984 |
| ORB.ENERGY,a.u. | -3.330400 | ||
| NORM | 1.000000 | < R > | .598844 | < R2 > | .452114 | < 1/R > | 2.209124 | < 1/R**2 > | 6.936380 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.691586 | .33722018 |
| 2 | 2s | 5.116306 | -.79674738 |
| 3 | 3s | 4.183423 | -.33032190 |
| 4 | 4s | 17.130628 | .00815452 |
| 5 | 3s | 19.423174 | .00273409 |
| 6 | 2s | .902634 | -.02151579 |
| 7 | 5s | 34.372795 | .00025988 |
| 8 | 4s | 1.225019 | .04117063 |
| 9 | 5s | 1.392825 | -.02458360 |
| ORB.ENERGY,a.u. | -5.072000 | ||
| NORM | 1.000000 | < R > | .620068 | < R2 > | .459007 | < 1/R > | 2.348947 | < 1/R**2 > | 22.796746 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.586458 | 1.01574921 |
| 2 | 2s | 17.925718 | -.02460142 |
| 3 | 3s | 8.785414 | .02361914 |
| 4 | 4s | 40.963742 | -.00021391 |
| 5 | 4s | 29.531598 | .00036546 |
| 6 | 2s | 64.387524 | .00003033 |
| 7 | 5s | 10.823181 | -.00905522 |
| 8 | 3s | 4.659739 | .00031979 |
| 9 | 2s | 155.937977 | -.00000012 |
| 10 | 4s | 1.430770 | -.00001364 |
| ORB.ENERGY,a.u. | -58.021000 |
| NORM | 1.000000 | < R > | .120257 | < R2 > | .019458 | < 1/R > | 12.589351 | < 1/R**2 > | 320.134068 |
Total Energy= -241.23690244 a.u.
Kinetic Energy= 241.21863426 a.u.
Potential Energy= -482.45553670 a.u.
Virial Ratio = -2.00007573