(1s 2 2s 2 3p 1 ) 2 P Cl 12+
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 | 2p | 5.574197 | .87476262 |
| 2 | 3p | 4.418359 | -1.51505867 |
| 3 | 2p | 11.908962 | .05343855 |
| 4 | 4p | 13.124693 | .01290763 |
| 5 | 5p | 22.103987 | .00185691 |
| 6 | 5p | 4.399822 | .01084116 |
| ORB.ENERGY,a.u. | -10.025000 | ||
| NORM | 1.000000 | < R > | .900744 | < R2 > | .934230 | < 1/R > | 1.544278 | < 1/R**2 > | 4.919879 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.203883 | .40692933 |
| 2 | 2s | 6.998293 | -.81297676 |
| 3 | 3s | 9.154949 | -.28820082 |
| 4 | 5s | 16.424740 | -.01323795 |
| 5 | 4s | 32.934466 | .00259947 |
| 6 | 5s | 47.801357 | -.00042450 |
| 7 | 5s | 9.670581 | -.00163878 |
| ORB.ENERGY,a.u. | -30.920000 | ||
| NORM | 1.000000 | < R > | .389970 | < R2 > | .177697 | < 1/R > | 3.776131 | < 1/R**2 > | 57.459406 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.132428 | .93408582 |
| 2 | 1s | 25.446475 | .06312947 |
| 3 | 2s | 18.076110 | .01955961 |
| 4 | 3s | 19.424162 | -.01506338 |
| 5 | 5s | 37.944617 | .00080620 |
| 6 | 4s | 83.865804 | -.00006396 |
| 7 | 5s | 9.678086 | -.00008850 |
| ORB.ENERGY,a.u. | -126.660000 |
| NORM | 1.000000 | < R > | .090397 | < R2 > | .010933 | < 1/R > | 16.664793 | < 1/R**2 > | 558.440837 |
Total Energy= -345.36781569 a.u.
Kinetic Energy= 345.36782107 a.u.
Potential Energy= -690.73563676 a.u.
Virial Ratio = -1.99999998