(1s 2 2s 2 2p 5 3p 1 ) 1 S P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 2.053014 | 1.16878182 |
| 2 | 3p | 2.242949 | -1.77520636 |
| 3 | 4p | 4.560763 | -.14473823 |
| 4 | 2p | 9.228948 | .05638033 |
| 5 | 5p | 15.076950 | .00218997 |
| 6 | 5p | 3.654093 | -.17232776 |
| 7 | 4p | 36.059055 | -.00007341 |
| 8 | 4p | 2.007728 | .00746125 |
| ORB.ENERGY,a.u. | -2.480500 | ||
| NORM | 1.000000 | < R > | 1.725196 | < R2 > | 3.324208 | < 1/R > | .702026 | < 1/R**2 > | .866669 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.163608 | 1.59621993 |
| 2 | 3p | 6.605922 | -.74823290 |
| 3 | 4p | 8.055903 | .15411825 |
| 4 | 5p | 6.715435 | -.00140290 |
| 5 | 5p | 26.027022 | -.00238703 |
| 6 | 4p | 35.072732 | -.00101930 |
| 7 | 4p | 2.528803 | -.03046585 |
| 8 | 3p | 52.473794 | -.00006780 |
| ORB.ENERGY,a.u. | -8.604800 | ||
| NORM | 1.000000 | < R > | .454094 | < R2 > | .253140 | < 1/R > | 2.833976 | < 1/R**2 > | 11.118318 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.157767 | .37070250 |
| 2 | 2s | 6.129849 | -.83274565 |
| 3 | 3s | 5.429250 | -.30192805 |
| 4 | 4s | 18.839920 | .00361354 |
| 5 | 3s | 17.120872 | .00691422 |
| 6 | 5s | 36.689726 | .00040258 |
| 7 | 5s | 4.826396 | -.00396900 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .502327 | < R2 > | .298386 | < 1/R > | 2.905829 | < 1/R**2 > | 34.669257 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.203277 | .92360983 |
| 2 | 1s | 21.019954 | .07268473 |
| 3 | 2s | 8.582583 | .02100695 |
| 4 | 3s | 10.653115 | -.02129272 |
| 5 | 4s | 13.331043 | .01078964 |
| 6 | 5s | 35.661790 | .00073164 |
| 7 | 4s | 78.169709 | -.00004553 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103689 | < R2 > | .014448 | < 1/R > | 14.583690 | < 1/R**2 > | 429.067109 |
Total Energy= -328.90541238 a.u.
Kinetic Energy= 328.79575203 a.u.
Potential Energy= -657.70116441 a.u.
Virial Ratio = -2.00033352