(1s 2 2s 2 2p 4 4s 1 ) 4 P F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4140.
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 | 4s- electron | |
| 1 | 1s | 9.339772 | .02052567 |
| 2 | 2s | .715142 | -.35592569 |
| 3 | 3s | .843371 | 1.08650111 |
| 4 | 4s | .407329 | -1.10208405 |
| 5 | 5s | 1.262232 | -.20856896 |
| 6 | 4s | 4.625353 | -.04809539 |
| 7 | 5s | 8.501835 | -.01982736 |
| 8 | 4s | 10.986437 | -.00976009 |
| 9 | 5s | 29.208786 | -.00003383 |
| 10 | 5s | .252603 | -.00437390 |
| 11 | 2s | 21.374686 | .00023627 |
| ORB.ENERGY,a.u. | -.066185 | ||
| NORM | 1.000000 | < R > | 11.407195 | < R2 > | 147.533115 | < 1/R > | .118401 | < 1/R**2 > | .096905 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.208973 | .66805312 |
| 2 | 2p | 3.915957 | .31969387 |
| 3 | 2p | 10.005125 | .01566309 |
| 4 | 3p | 1.570415 | .05793698 |
| 5 | 4p | 9.351373 | .01533800 |
| 6 | 4p | .897642 | -.03730222 |
| 7 | 5p | 1.012577 | .03095737 |
| 8 | 3p | 11.917378 | .00463261 |
| ORB.ENERGY,a.u. | -1.078000 | ||
| NORM | 1.000000 | < R > | .970860 | < R2 > | 1.198408 | < 1/R > | 1.376992 | < 1/R**2 > | 2.729555 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.512059 | .30112228 |
| 2 | 2s | 3.355012 | -.77467354 |
| 3 | 3s | 2.628375 | -.34970326 |
| 4 | 4s | 10.859263 | .01175333 |
| 5 | 3s | 11.856628 | .00808129 |
| 6 | 5s | .459238 | .00374124 |
| 7 | 4s | 1.596462 | -.00528092 |
| 8 | 5s | 34.997997 | -.00005632 |
| 9 | 3s | 27.514161 | -.00012577 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .961693 | < R2 > | 1.112755 | < 1/R > | 1.502766 | < 1/R**2 > | 9.290746 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.235175 | .87358975 |
| 2 | 1s | 12.230483 | .12125874 |
| 3 | 1s | 9.607399 | .00092172 |
| 4 | 2s | 5.983060 | .01825974 |
| 5 | 3s | 8.191678 | -.00761946 |
| 6 | 4s | 17.064164 | .00297554 |
| 7 | 5s | 52.878743 | -.00003907 |
| 8 | 5s | 3.940254 | .00042434 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175668 | < R2 > | .041562 | < 1/R > | 8.632489 | < 1/R**2 > | 150.888194 |
Total Energy= -98.89697176 a.u.
Kinetic Energy= 98.89787429 a.u.
Potential Energy= -197.79484605 a.u.
Virial Ratio = -1.99999087