(1s 2 2s 2 2p 6 3s 1 4s 1 ) 1 S Cl 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | 13.715781 | .03831438 |
| 2 | 2s | 5.709929 | -.14401561 |
| 3 | 3s | 1.288642 | 8.12626894 |
| 4 | 4s | 1.902885 | -7.08666789 |
| 5 | 5s | 3.987387 | .14334710 |
| 6 | 5s | 1.546791 | -2.17878182 |
| 7 | 4s | 38.308333 | -.00081810 |
| 8 | 3s | 13.686208 | -.01378400 |
| 9 | 4s | .938546 | -.21488246 |
| 10 | 3s | .772025 | .14121604 |
| 11 | 5s | 52.193737 | .00025444 |
| 12 | 3s | 17.089512 | .00521811 |
| ORB.ENERGY,a.u. | -1.677800 | ||
| NORM | .999999 | < R > | 2.466964 | < R2 > | 6.928985 | < 1/R > | .463092 | < 1/R**2 > | .642728 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | .977663 | 3.98980446 |
| 2 | 1s | 15.053602 | .09425080 |
| 3 | 2s | 6.009692 | -1.41811976 |
| 4 | 3s | 1.760772 | -3.76254475 |
| 5 | 4s | 2.980187 | 1.09199462 |
| 6 | 5s | 11.943187 | .01898944 |
| 7 | 4s | 5.734944 | -.35395887 |
| 8 | 3s | 29.900723 | -.00040427 |
| 9 | 5s | 1.083197 | -.03487498 |
| 10 | 4s | .662658 | .00170748 |
| ORB.ENERGY,a.u. | -3.489900 | ||
| NORM | 1.000002 | < R > | 1.169090 | < R2 > | 1.765869 | < 1/R > | 1.299133 | < 1/R**2 > | 10.857873 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.647811 | .44470959 |
| 2 | 3p | 7.655274 | .48917597 |
| 3 | 5p | 5.603131 | .01289875 |
| 4 | 4p | 6.395447 | .15453014 |
| 5 | 2p | 21.486448 | .00292396 |
| 6 | 5p | 39.888694 | -.00014168 |
| 7 | 3p | 13.603117 | .00105584 |
| 8 | 3p | 1.827443 | -.00011939 |
| 9 | 3p | 79.089692 | .00000325 |
| ORB.ENERGY,a.u. | -10.990000 | ||
| NORM | 1.000000 | < R > | .401193 | < R2 > | .199137 | < 1/R > | 3.229177 | < 1/R**2 > | 14.492567 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.629990 | .38230936 |
| 2 | 2s | 7.160465 | -.81661232 |
| 3 | 3s | 6.276550 | -.31954727 |
| 4 | 4s | 28.542294 | .00187599 |
| 5 | 3s | 16.365604 | .00955371 |
| 6 | 2s | 2.857563 | -.01776778 |
| 7 | 4s | 2.503513 | .00188185 |
| 8 | 5s | 68.549073 | .00001238 |
| 9 | 5s | 1.157036 | -.00178853 |
| 10 | 3s | .831271 | .00178360 |
| ORB.ENERGY,a.u. | -13.632000 | ||
| NORM | 1.000000 | < R > | .439312 | < R2 > | .228553 | < 1/R > | 3.333312 | < 1/R**2 > | 45.681915 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.595234 | 1.00977458 |
| 2 | 2s | 23.539269 | -.01768739 |
| 3 | 3s | 12.628891 | .01853593 |
| 4 | 3s | 78.294908 | -.00007690 |
| 5 | 4s | 10.928682 | .00225504 |
| 6 | 4s | 58.424909 | -.00029988 |
| 7 | 5s | 14.444707 | -.00654461 |
| 8 | 2s | .656076 | -.00266596 |
| 9 | 3s | 1.126951 | .00197265 |
| 10 | 2s | 153.946730 | -.00000114 |
| 11 | 5s | .924468 | .00091511 |
| ORB.ENERGY,a.u. | -107.620000 |
| NORM | 1.000000 | < R > | .091240 | < R2 > | .011184 | < 1/R > | 16.565828 | < 1/R**2 > | 553.287401 |
Total Energy= -450.36647915 a.u.
Kinetic Energy= 453.36187485 a.u.
Potential Energy= -903.72835400 a.u.
Virial Ratio = -1.99339293