(1s 2 2s 2 4p 1 ) 2 P S 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 6.934712 | .38941369 |
| 2 | 3p | 3.237858 | -1.03476168 |
| 3 | 5p | 3.330484 | 1.58862402 |
| 4 | 4p | 4.918054 | -.37217198 |
| 5 | 5p | 8.563417 | .04932658 |
| 6 | 4p | 19.396837 | -.00470748 |
| 7 | 5p | 42.298240 | -.00064813 |
| 8 | 4p | 2.588009 | .12653864 |
| 9 | 4p | 64.369529 | -.00013127 |
| 10 | 5p | 1.090907 | -.00014494 |
| ORB.ENERGY,a.u. | -4.731000 | ||
| NORM | .999999 | < R > | 1.824329 | < R2 > | 3.772934 | < 1/R > | .788635 | < 1/R**2 > | 1.730259 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.394952 | .40342600 |
| 2 | 2s | 6.542006 | -.81359460 |
| 3 | 3s | 8.541054 | -.28838191 |
| 4 | 5s | 15.622158 | -.01331398 |
| 5 | 4s | 30.390571 | .00296623 |
| 6 | 5s | 43.123747 | -.00050477 |
| 7 | 5s | 6.474441 | .00307118 |
| 8 | 4s | 3.228376 | .00026968 |
| ORB.ENERGY,a.u. | -24.961000 | ||
| NORM | 1.000000 | < R > | .415815 | < R2 > | .201939 | < 1/R > | 3.537071 | < 1/R**2 > | 50.398378 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.143020 | .93436887 |
| 2 | 1s | 23.974287 | .06417707 |
| 3 | 2s | 16.583045 | .01960471 |
| 4 | 3s | 18.119444 | -.01671087 |
| 5 | 5s | 35.908728 | .00092476 |
| 6 | 4s | 80.836456 | -.00006038 |
| 7 | 5s | 14.144556 | -.00012947 |
| ORB.ENERGY,a.u. | -111.770000 |
| NORM | 1.000000 | < R > | .096161 | < R2 > | .012373 | < 1/R > | 15.668465 | < 1/R**2 > | 493.786996 |
Total Energy= -300.40483751 a.u.
Kinetic Energy= 300.40482817 a.u.
Potential Energy= -600.80966568 a.u.
Virial Ratio = -2.00000003