(1s 2 2s 1 3p 1 ) 3 P P 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 4.836289 | 1.02008430 |
| 2 | 3p | 4.063903 | -1.63138726 |
| 3 | 2p | 11.583429 | .03313226 |
| 4 | 4p | 12.419671 | .01523988 |
| 5 | 3p | 23.763526 | .00011648 |
| 6 | 5p | 2.467424 | .00017685 |
| 7 | 4p | 29.147478 | -.00017735 |
| ORB.ENERGY,a.u. | -8.360200 | ||
| NORM | 1.000000 | < R > | .996775 | < R2 > | 1.144726 | < 1/R > | 1.397420 | < 1/R**2 > | 3.999556 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.508375 | .41147842 |
| 2 | 2s | 6.256485 | -.80231979 |
| 3 | 3s | 8.031866 | -.29430310 |
| 4 | 5s | 13.467256 | -.02238301 |
| 5 | 4s | 26.807729 | .00463971 |
| 6 | 5s | 35.607296 | -.00093948 |
| 7 | 4s | 4.098763 | -.00052937 |
| 8 | 3s | 55.142478 | .00004636 |
| ORB.ENERGY,a.u. | -21.337000 | ||
| NORM | 1.000000 | < R > | .439518 | < R2 > | .225537 | < 1/R > | 3.355947 | < 1/R**2 > | 45.431773 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.419026 | .93851032 |
| 2 | 1s | 22.831501 | .04910600 |
| 3 | 2s | 17.334501 | .01647238 |
| 4 | 3s | 11.130285 | .00172163 |
| 5 | 4s | 60.107180 | -.00045889 |
| 6 | 5s | 80.177055 | .00016690 |
| 7 | 5s | 19.249283 | .00023148 |
| ORB.ENERGY,a.u. | -97.975000 |
| NORM | 1.000000 | < R > | .102751 | < R2 > | .014133 | < 1/R > | 14.669719 | < 1/R**2 > | 433.032626 |
Total Energy= -246.47486047 a.u.
Kinetic Energy= 246.49119629 a.u.
Potential Energy= -492.96605676 a.u.
Virial Ratio = -1.99993373