(1s 2 2s 2 2p 5 3d 1 ) 1 P Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
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 | 3d- electron | |
| 1 | 4d | 2.188798 | -.00049983 |
| 2 | 3d | .335276 | 1.00596590 |
| 3 | 4d | .912046 | .00255992 |
| 4 | 5d | .434734 | -.00783674 |
| 5 | 5d | 6.309536 | .00012656 |
| 6 | 4d | 11.335805 | .00002423 |
| ORB.ENERGY,a.u. | -.055970 | ||
| NORM | 1.000000 | < R > | 10.409180 | < R2 > | 123.914485 | < 1/R > | .112165 | < 1/R**2 > | .015107 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 3p | 14.415452 | .00194782 |
| 2 | 2p | 1.710840 | .13331178 |
| 3 | 2p | 2.545788 | .59346789 |
| 4 | 2p | 4.499501 | .30710547 |
| 5 | 2p | 10.181515 | .01867819 |
| 6 | 4p | 2.195741 | .02720970 |
| 7 | 4p | 10.469086 | .01230431 |
| 8 | 3p | 1.591525 | -.01642240 |
| ORB.ENERGY,a.u. | -1.270000 | ||
| NORM | 1.000000 | < R > | .875896 | < R2 > | .982044 | < 1/R > | 1.536865 | < 1/R**2 > | 3.420091 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.501051 | .29697251 |
| 2 | 2s | 3.736763 | -.78279672 |
| 3 | 3s | 2.887000 | -.34419865 |
| 4 | 4s | 13.038550 | .01869459 |
| 5 | 3s | 21.696635 | .00429567 |
| 6 | 5s | 1.939593 | -.02215622 |
| 7 | 5s | 22.818705 | .00261181 |
| 8 | 4s | 1.601595 | .02650023 |
| 9 | 3s | 1.165553 | -.00561429 |
| 10 | 2s | 38.436062 | .00022187 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860286 | < R2 > | .890303 | < 1/R > | 1.685607 | < 1/R**2 > | 11.736275 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241468 | .92190872 |
| 2 | 1s | 14.464940 | .08150657 |
| 3 | 2s | 5.554773 | .00857440 |
| 4 | 3s | 13.419834 | -.00702596 |
| 5 | 4s | 19.912851 | .00340549 |
| 6 | 5s | 31.582082 | -.00006349 |
| 7 | 5s | 3.662704 | .00023460 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620054 | < 1/R**2 > | 187.253887 |
Total Energy= -127.87433812 a.u.
Kinetic Energy= 127.87377659 a.u.
Potential Energy= -255.74811471 a.u.
Virial Ratio = -2.00000439