(1s 2 2s 2 2p 1 4p 1 ) 3 P F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 2.388646 | .28125152 |
| 2 | 3p | 1.225512 | -1.95027188 |
| 3 | 4p | 1.112823 | 2.26370177 |
| 4 | 5p | .955697 | .02011562 |
| 5 | 2p | 7.331430 | .00758577 |
| 6 | 4p | 4.545495 | -.02883310 |
| 7 | 3p | 10.239192 | -.00075250 |
| ORB.ENERGY,a.u. | -.589260 | ||
| NORM | 1.000001 | < R > | 4.868225 | < R2 > | 26.718009 | < 1/R > | .262495 | < 1/R**2 > | .130927 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.107414 | .92697574 |
| 2 | 2p | 6.719211 | .08388717 |
| 3 | 3p | 1.146361 | -.13767132 |
| 4 | 5p | 1.316224 | .14370996 |
| 5 | 4p | 7.201524 | .03373965 |
| 6 | 4p | .876080 | .04799595 |
| 7 | 5p | 22.336383 | -.00028797 |
| 8 | 5p | .791909 | -.00695910 |
| 9 | 3p | 65.951439 | .00000368 |
| ORB.ENERGY,a.u. | -3.921000 | ||
| NORM | 1.000000 | < R > | .776918 | < R2 > | .883513 | < 1/R > | 1.692392 | < 1/R**2 > | 3.922906 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.084013 | .30747294 |
| 2 | 2s | 2.890383 | -.78801477 |
| 3 | 3s | 4.662983 | -.27061165 |
| 4 | 4s | 16.622829 | .00225969 |
| 5 | 5s | 9.223367 | -.01757968 |
| 6 | 5s | 3.341187 | .02587505 |
| 7 | 4s | 36.345560 | .00003240 |
| 8 | 4s | 1.187020 | .00034485 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .844662 | < R2 > | .838908 | < 1/R > | 1.708873 | < 1/R**2 > | 11.834288 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.252343 | .00087134 |
| 2 | 1s | 8.047461 | .85189306 |
| 3 | 1s | 12.616561 | .14437383 |
| 4 | 2s | 10.967785 | .02092737 |
| 5 | 3s | 9.821741 | -.01582311 |
| 6 | 4s | 16.001197 | .00441792 |
| 7 | 5s | 27.987893 | .00021646 |
| 8 | 5s | 3.739514 | -.00018332 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174852 | < R2 > | .041077 | < 1/R > | 8.656753 | < 1/R**2 > | 151.530919 |
Total Energy= -92.71442549 a.u.
Kinetic Energy= 92.71594230 a.u.
Potential Energy= -185.43036780 a.u.
Virial Ratio = -1.99998364