(1s 2 2s 2 2p 2 4d 1 ) 4 P Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4142.
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 | 4d- electron | |
| 1 | 3d | 3.215888 | 1.28236675 |
| 2 | 4d | 2.748970 | -1.80418702 |
| 3 | 3d | 6.682091 | .04737945 |
| 4 | 5d | 9.725939 | -.00871979 |
| 5 | 4d | 24.125089 | .00010791 |
| 6 | 5d | 2.435087 | .01136441 |
| 7 | 3d | 27.075244 | .00007559 |
| ORB.ENERGY,a.u. | -3.883100 | ||
| NORM | 1.000000 | < R > | 1.849346 | < R2 > | 3.919082 | < 1/R > | .718073 | < 1/R**2 > | .848639 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.769468 | 1.11222391 |
| 2 | 3p | 7.770898 | -.14058693 |
| 3 | 2p | 15.921268 | .02419586 |
| 4 | 4p | 18.930401 | .00855614 |
| 5 | 5p | 27.193312 | -.00153718 |
| 6 | 5p | 3.382684 | .00033007 |
| 7 | 4p | 73.290971 | .00003615 |
| ORB.ENERGY,a.u. | -21.006000 | ||
| NORM | 1.000000 | < R > | .351755 | < R2 > | .150072 | < 1/R > | 3.601432 | < 1/R**2 > | 17.592933 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.324426 | .43082472 |
| 2 | 2s | 7.490888 | -.86876104 |
| 3 | 3s | 7.615487 | -.28627387 |
| 4 | 4s | 28.681013 | .00199058 |
| 5 | 3s | 15.724001 | .01691619 |
| 6 | 5s | 7.691319 | -.02051762 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .404321 | < R2 > | .191523 | < 1/R > | 3.631760 | < 1/R**2 > | 53.495268 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.060950 | .92144580 |
| 2 | 1s | 24.150845 | .07730169 |
| 3 | 2s | 15.031105 | .01928369 |
| 4 | 3s | 18.605597 | -.01560926 |
| 5 | 5s | 40.499457 | .00084964 |
| 6 | 4s | 97.195678 | -.00003082 |
| 7 | 5s | 12.571559 | .00033056 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090728 | < R2 > | .011030 | < 1/R > | 16.625491 | < 1/R**2 > | 556.391616 |
Total Energy= -385.05914695 a.u.
Kinetic Energy= 385.04532470 a.u.
Potential Energy= -770.10447165 a.u.
Virial Ratio = -2.00003590