(1s 2 2s 2 2p 5 4p 1 ) 3 D P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3241.
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 | 6.920132 | .17875142 |
| 2 | 3p | 1.185119 | 2.40851462 |
| 3 | 4p | 2.624529 | -1.28083707 |
| 4 | 5p | 4.784203 | -.16298353 |
| 5 | 3p | 12.847799 | -.00865356 |
| 6 | 5p | 1.361059 | -.75352873 |
| 7 | 4p | 18.316617 | .00219537 |
| 8 | 3p | 27.074509 | .00025761 |
| ORB.ENERGY,a.u. | -1.382500 | ||
| NORM | 1.000000 | < R > | 3.116659 | < R2 > | 10.985228 | < 1/R > | .450848 | < 1/R**2 > | .608126 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.849120 | 1.22939705 |
| 2 | 3p | 5.718073 | -.30842124 |
| 3 | 2p | 11.298648 | .07605142 |
| 4 | 4p | 13.524821 | .01372347 |
| 5 | 5p | 2.080539 | -.00124897 |
| 6 | 4p | 2.269491 | .00127204 |
| 7 | 4p | 62.050918 | .00001826 |
| ORB.ENERGY,a.u. | -9.186700 | ||
| NORM | 1.000000 | < R > | .459565 | < R2 > | .260907 | < 1/R > | 2.816312 | < 1/R**2 > | 11.021256 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.137610 | .37214758 |
| 2 | 2s | 6.145176 | -.83470298 |
| 3 | 3s | 5.415363 | -.30346662 |
| 4 | 4s | 18.183613 | .00444071 |
| 5 | 3s | 17.463576 | .00673793 |
| 6 | 5s | 36.143833 | .00045157 |
| 7 | 5s | 4.272416 | -.00356074 |
| 8 | 4s | 3.133014 | .00190653 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .501643 | < R2 > | .297503 | < 1/R > | 2.909862 | < 1/R**2 > | 34.758928 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204052 | .92331073 |
| 2 | 1s | 20.991219 | .07298766 |
| 3 | 2s | 8.537518 | .02103366 |
| 4 | 3s | 10.643410 | -.02133138 |
| 5 | 4s | 13.384584 | .01070748 |
| 6 | 5s | 35.401382 | .00078680 |
| 7 | 4s | 81.735899 | -.00004403 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103679 | < R2 > | .014444 | < 1/R > | 14.584568 | < 1/R**2 > | 429.106619 |
Total Energy= -327.69114886 a.u.
Kinetic Energy= 327.69811416 a.u.
Potential Energy= -655.38926303 a.u.
Virial Ratio = -1.99997874