(1s 2 2s 2 2p 4 4p 1 ) 4 P S 7+
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 | 7.649408 | .20686069 |
| 2 | 3p | 1.575060 | 1.96310267 |
| 3 | 4p | 3.278615 | -1.40452878 |
| 4 | 5p | 5.787122 | -.15654882 |
| 5 | 3p | 15.774421 | -.00309497 |
| 6 | 5p | 1.794996 | -.57743446 |
| 7 | 4p | 2.049699 | .40325618 |
| ORB.ENERGY,a.u. | -2.349300 | ||
| NORM | 1.000000 | < R > | 2.450009 | < R2 > | 6.789487 | < 1/R > | .578299 | < 1/R**2 > | .978198 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.581194 | 1.15406403 |
| 2 | 3p | 6.375678 | -.22901196 |
| 3 | 2p | 12.265033 | .07014965 |
| 4 | 4p | 14.488617 | .01324324 |
| 5 | 5p | 1.907915 | -.00493575 |
| 6 | 5p | 1.827624 | .00384856 |
| 7 | 4p | 69.034393 | .00001728 |
| ORB.ENERGY,a.u. | -13.340000 | ||
| NORM | 1.000000 | < R > | .405184 | < R2 > | .201105 | < 1/R > | 3.163351 | < 1/R**2 > | 13.755833 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.785118 | .39519201 |
| 2 | 2s | 6.763000 | -.85089161 |
| 3 | 3s | 6.227051 | -.29845738 |
| 4 | 4s | 17.034953 | .00622375 |
| 5 | 3s | 18.946114 | .00867569 |
| 6 | 5s | 33.947293 | .00050332 |
| 7 | 5s | 5.300060 | -.00515317 |
| 8 | 4s | 3.779177 | .00211772 |
| 9 | 2s | 68.521766 | .00001626 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .452851 | < R2 > | .241435 | < 1/R > | 3.230514 | < 1/R**2 > | 42.652203 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.163677 | .91846301 |
| 2 | 1s | 22.041286 | .07818457 |
| 3 | 2s | 9.724870 | .01980942 |
| 4 | 3s | 11.837069 | -.01991846 |
| 5 | 4s | 14.322958 | .00908369 |
| 6 | 5s | 38.990972 | .00077613 |
| 7 | 4s | 90.143976 | -.00003000 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096891 | < R2 > | .012603 | < 1/R > | 15.592535 | < 1/R**2 > | 490.072359 |
Total Energy= -367.58143680 a.u.
Kinetic Energy= 367.60952843 a.u.
Potential Energy= -735.19096522 a.u.
Virial Ratio = -1.99992358