(1s 2 2s 1 4p 1 ) 3 P S 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 6.479261 | .50008708 |
| 2 | 3p | 3.873299 | -.98620762 |
| 3 | 5p | 3.486668 | 1.52563415 |
| 4 | 4p | 5.215733 | -.39995373 |
| 5 | 5p | 7.733407 | .08278998 |
| 6 | 4p | 17.184178 | -.00994253 |
| 7 | 5p | 36.148695 | -.00143813 |
| 8 | 4p | 50.615659 | -.00045580 |
| 9 | 3p | 1.985440 | .00892143 |
| 10 | 3p | 75.910600 | -.00003206 |
| ORB.ENERGY,a.u. | -5.440700 | ||
| NORM | 1.000000 | < R > | 1.718969 | < R2 > | 3.350752 | < 1/R > | .837935 | < 1/R**2 > | 1.926974 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.925336 | .43660566 |
| 2 | 2s | 7.083317 | -.80958094 |
| 3 | 3s | 8.016091 | -.30751060 |
| 4 | 5s | 14.390320 | -.02838569 |
| 5 | 4s | 30.549171 | .00422825 |
| 6 | 5s | 41.541728 | -.00104682 |
| 7 | 4s | 1.660510 | .00291373 |
| 8 | 3s | 77.494792 | .00002495 |
| 9 | 5s | 1.914687 | -.00265933 |
| ORB.ENERGY,a.u. | -25.241000 | ||
| NORM | 1.000000 | < R > | .407925 | < R2 > | .194078 | < 1/R > | 3.619390 | < 1/R**2 > | 52.784202 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.404558 | .93944442 |
| 2 | 1s | 24.385359 | .04828641 |
| 3 | 2s | 18.768161 | .01670444 |
| 4 | 3s | 8.634062 | .00056939 |
| 5 | 4s | 63.863549 | -.00047436 |
| 6 | 5s | 85.553440 | .00017728 |
| 7 | 5s | 18.228573 | .00078459 |
| ORB.ENERGY,a.u. | -112.530000 |
| NORM | 1.000000 | < R > | .096138 | < R2 > | .012368 | < 1/R > | 15.672641 | < 1/R**2 > | 494.036427 |
Total Energy= -277.42084463 a.u.
Kinetic Energy= 277.42686059 a.u.
Potential Energy= -554.84770522 a.u.
Virial Ratio = -1.99997832