(1s 2 2s 2 2p 4 ) 1 S Ar 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 2p- electron | |
| 1 | 2p | 7.051076 | 1.29969904 |
| 2 | 3p | 9.110243 | -.35871454 |
| 3 | 4p | 10.855902 | .05104725 |
| 4 | 5p | 6.972910 | .01266408 |
| 5 | 5p | 41.920663 | -.00018251 |
| 6 | 3p | 21.422077 | -.00250582 |
| ORB.ENERGY,a.u. | -19.007000 | ||
| NORM | 1.000000 | < R > | .349597 | < R2 > | .149397 | < 1/R > | 3.657273 | < 1/R**2 > | 18.331286 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.135677 | .41759222 |
| 2 | 2s | 7.746736 | -.88931418 |
| 3 | 3s | 7.107554 | -.28527374 |
| 4 | 4s | 30.908643 | .00174219 |
| 5 | 3s | 16.400181 | .01453269 |
| 6 | 5s | 8.111809 | .00927472 |
| ORB.ENERGY,a.u. | -21.808000 | ||
| NORM | 1.000000 | < R > | .392768 | < R2 > | .181287 | < 1/R > | 3.734783 | < 1/R**2 > | 56.897975 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.173734 | .94743018 |
| 2 | 1s | 27.185127 | .05038896 |
| 3 | 2s | 15.313775 | .01860300 |
| 4 | 3s | 22.181454 | -.01452123 |
| 5 | 4s | 33.900238 | .00233967 |
| 6 | 5s | 64.427765 | .00004866 |
| 7 | 5s | 13.399000 | .00077992 |
| ORB.ENERGY,a.u. | -130.480000 |
| NORM | 1.000000 | < R > | .085835 | < R2 > | .009884 | < 1/R > | 17.588149 | < 1/R**2 > | 623.045911 |
Total Energy= -472.91277859 a.u.
Kinetic Energy= 472.17318102 a.u.
Potential Energy= -945.08595960 a.u.
Virial Ratio = -2.00156637