(1s 2 2s 2 2p 2 4p 1 ) 4 P S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4141.
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 | 7.408920 | .27174073 |
| 2 | 3p | 2.496412 | -.71544029 |
| 3 | 5p | 2.783952 | 1.42578274 |
| 4 | 4p | 4.052674 | -.65252716 |
| 5 | 5p | 9.845525 | .02383375 |
| 6 | 4p | 24.958019 | -.00172757 |
| 7 | 5p | 3.464595 | .38599758 |
| 8 | 5p | 60.494413 | -.00011493 |
| 9 | 4p | 94.233615 | -.00002118 |
| ORB.ENERGY,a.u. | -3.448400 | ||
| NORM | 1.000000 | < R > | 2.086953 | < R2 > | 4.927252 | < 1/R > | .679654 | < 1/R**2 > | 1.298474 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.310774 | 1.14233462 |
| 2 | 3p | 7.426629 | -.16420409 |
| 3 | 2p | 15.493414 | .01905613 |
| 4 | 4p | 17.714819 | .00509875 |
| 5 | 5p | 28.746373 | -.00064673 |
| 6 | 5p | 2.594048 | -.00045442 |
| 7 | 4p | 84.280395 | .00001263 |
| ORB.ENERGY,a.u. | -17.911000 | ||
| NORM | 1.000000 | < R > | .378347 | < R2 > | .173744 | < 1/R > | 3.351489 | < 1/R**2 > | 15.254363 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.586916 | .42346091 |
| 2 | 2s | 6.998003 | -.86284139 |
| 3 | 3s | 7.156333 | -.28377751 |
| 4 | 4s | 27.280424 | .00208268 |
| 5 | 3s | 14.404432 | .02019997 |
| 6 | 5s | 7.258884 | -.02861692 |
| 7 | 4s | 1.134276 | .00134348 |
| 8 | 5s | 1.329297 | -.00127059 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433665 | < R2 > | .220418 | < 1/R > | 3.381327 | < 1/R**2 > | 46.401305 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.111197 | .92673588 |
| 2 | 1s | 23.113233 | .07200918 |
| 3 | 2s | 14.080429 | .01950325 |
| 4 | 3s | 17.755622 | -.01558791 |
| 5 | 5s | 37.569486 | .00090287 |
| 6 | 4s | 89.440928 | -.00003663 |
| 7 | 5s | 12.081585 | .00033941 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096571 | < R2 > | .012501 | < 1/R > | 15.625361 | < 1/R**2 > | 491.670800 |
Total Energy= -338.36090568 a.u.
Kinetic Energy= 338.37426664 a.u.
Potential Energy= -676.73517232 a.u.
Virial Ratio = -1.99996051