(1s 1 3s 1 ) 3 S Al 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 7.928937 | .37219940 |
| 2 | 2s | 4.258036 | -1.95315885 |
| 3 | 3s | 4.028244 | 2.42867496 |
| 4 | 4s | 6.480832 | -.12824979 |
| 5 | 5s | 11.271942 | -.01393515 |
| 6 | 4s | 39.443264 | -.00010383 |
| 7 | 3s | 23.265635 | .00020679 |
| 8 | 5s | 2.225503 | -.00011174 |
| ORB.ENERGY,a.u. | -8.410100 | ||
| NORM | 1.000000 | < R > | 1.098231 | < R2 > | 1.369445 | < 1/R > | 1.349306 | < 1/R**2 > | 10.805430 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.751878 | .88932955 |
| 2 | 1s | 15.406423 | .10553520 |
| 3 | 2s | 14.942119 | .01065845 |
| 4 | 3s | 13.699345 | -.00523781 |
| 5 | 4s | 46.618739 | .00001431 |
| 6 | 5s | 17.889898 | .00013889 |
| ORB.ENERGY,a.u. | -83.521000 |
| NORM | 1.000000 | < R > | .115378 | < R2 > | .017751 | < 1/R > | 13.001398 | < 1/R**2 > | 338.074214 |
Total Energy= -92.66956293 a.u.
Kinetic Energy= 92.70252456 a.u.
Potential Energy= -185.37208749 a.u.
Virial Ratio = -1.99964444