(1s 2 2s 2 2p 3 5p 1 ) 3 P F +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 2p | 2.074354 | .07566706 |
| 2 | 3p | .764736 | -.88398494 |
| 3 | 4p | .512328 | 2.76300076 |
| 4 | 5p | .452811 | -2.62512383 |
| 5 | 2p | 4.881318 | .01889649 |
| 6 | 5p | 2.497739 | .01191127 |
| 7 | 3p | 8.568672 | -.00103617 |
| ORB.ENERGY,a.u. | -.099888 | ||
| NORM | 1.000007 | < R > | 14.592684 | < R2 > | 239.289954 | < 1/R > | .092934 | < 1/R**2 > | .024772 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.515517 | .72700993 |
| 2 | 2p | 4.196416 | .27159687 |
| 3 | 2p | 8.676146 | .01930686 |
| 4 | 3p | 2.041020 | .02682538 |
| 5 | 5p | 11.013261 | .00341759 |
| 6 | 4p | .653831 | -.02179238 |
| 7 | 5p | .725317 | .03833199 |
| 8 | 4p | 59.945498 | .00000266 |
| 9 | 3p | .318829 | -.01871693 |
| ORB.ENERGY,a.u. | -2.170200 | ||
| NORM | 1.000000 | < R > | .878120 | < R2 > | .974869 | < 1/R > | 1.487844 | < 1/R**2 > | 3.111943 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.494933 | .31480770 |
| 2 | 2s | 3.322671 | -.83989564 |
| 3 | 3s | 2.766312 | -.27049138 |
| 4 | 4s | 10.908229 | .01482552 |
| 5 | 3s | 12.858992 | .00722789 |
| 6 | 5s | 3.702544 | -.00789001 |
| 7 | 5s | 34.262894 | -.00021888 |
| 8 | 3s | 1.613042 | -.00080953 |
| 9 | 4s | 50.299911 | -.00005568 |
| ORB.ENERGY,a.u. | -1.920100 | ||
| NORM | 1.000000 | < R > | .920899 | < R2 > | 1.009383 | < 1/R > | 1.565225 | < 1/R**2 > | 10.024514 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.100782 | .85265545 |
| 2 | 1s | 11.755359 | .15409332 |
| 3 | 2s | 8.304838 | -.00544018 |
| 4 | 3s | 5.332998 | .00323882 |
| 5 | 4s | 17.447764 | .00394557 |
| 6 | 5s | 51.449425 | .00002534 |
| 7 | 3s | 75.559714 | .00000704 |
| 8 | 5s | 2.490346 | .00005182 |
| ORB.ENERGY,a.u. | -26.471000 |
| NORM | 1.000000 | < R > | .175516 | < R2 > | .041469 | < 1/R > | 8.636832 | < 1/R**2 > | 151.001455 |
Total Energy= -97.71031492 a.u.
Kinetic Energy= 97.70886294 a.u.
Potential Energy= -195.41917786 a.u.
Virial Ratio = -2.00001486