(1s 2 2s 1 5p 1 ) 3 P Al 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 1.516501 | 5.24189574 |
| 2 | 3p | 2.541317 | -6.00665076 |
| 3 | 4p | 1.943838 | 6.90875316 |
| 4 | 5p | 1.987612 | -7.47008322 |
| 5 | 2p | 8.463415 | .03000298 |
| 6 | 5p | 11.645347 | .00507287 |
| 7 | 4p | 24.968862 | -.00047886 |
| 8 | 5p | .877054 | -.00087652 |
| 9 | 5p | 75.958824 | -.00001308 |
| ORB.ENERGY,a.u. | -2.058300 | ||
| NORM | 1.000001 | < R > | 3.548367 | < R2 > | 14.173411 | < 1/R > | .412171 | < 1/R**2 > | .589622 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.702107 | .41344088 |
| 2 | 2s | 5.557656 | -.79198930 |
| 3 | 3s | 6.451293 | -.30494218 |
| 4 | 5s | 11.414920 | -.03114471 |
| 5 | 4s | 23.768146 | .00647246 |
| 6 | 5s | 31.697706 | -.00169015 |
| 7 | 4s | 4.804120 | .00140553 |
| 8 | 3s | 57.521011 | .00004823 |
| 9 | 5s | 1.292344 | -.00008686 |
| ORB.ENERGY,a.u. | -15.858000 | ||
| NORM | 1.000000 | < R > | .512011 | < R2 > | .305722 | < 1/R > | 2.872289 | < 1/R**2 > | 33.271517 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.434206 | .94044511 |
| 2 | 1s | 20.065772 | .04891124 |
| 3 | 2s | 15.109259 | .01476749 |
| 4 | 3s | 9.863072 | .00211196 |
| 5 | 4s | 51.287176 | -.00055430 |
| 6 | 5s | 68.132746 | .00020452 |
| 7 | 5s | 6.606302 | .00015081 |
| ORB.ENERGY,a.u. | -71.915000 |
| NORM | 1.000000 | < R > | .119000 | < R2 > | .018966 | < 1/R > | 12.674484 | < 1/R**2 > | 323.514422 |
Total Energy= -179.24143650 a.u.
Kinetic Energy= 179.24358561 a.u.
Potential Energy= -358.48502211 a.u.
Virial Ratio = -1.99998801