(1s 2 2s 2 2p 2 3d 1 ) 4 D Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4232.
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 | 3d | 3.775559 | 1.07436513 |
| 2 | 3d | 7.797999 | .04902599 |
| 3 | 4d | 4.193249 | -.10971196 |
| 4 | 5d | 26.855809 | -.00024159 |
| 5 | 5d | 3.084037 | -.00072604 |
| ORB.ENERGY,a.u. | -7.022700 | ||
| NORM | 1.000000 | < R > | .889366 | < R2 > | .912898 | < 1/R > | 1.329658 | < 1/R**2 > | 2.161270 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.660697 | 1.22496232 |
| 2 | 3p | 7.671707 | -.23334793 |
| 3 | 2p | 18.680885 | .01061024 |
| 4 | 4p | 3.005096 | -.00006442 |
| 5 | 5p | 14.582448 | -.00840137 |
| 6 | 5p | 4.969319 | .00104244 |
| 7 | 4p | 63.882069 | .00003143 |
| ORB.ENERGY,a.u. | -20.437000 | ||
| NORM | 1.000000 | < R > | .353886 | < R2 > | .152188 | < 1/R > | 3.585842 | < 1/R**2 > | 17.466097 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.324033 | .42977677 |
| 2 | 2s | 7.487388 | -.86797626 |
| 3 | 3s | 7.552005 | -.28656307 |
| 4 | 4s | 28.359914 | .00195844 |
| 5 | 3s | 16.023791 | .01585666 |
| 6 | 5s | 7.408617 | -.02080600 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .405426 | < R2 > | .192712 | < 1/R > | 3.622475 | < 1/R**2 > | 53.247734 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.061342 | .92144203 |
| 2 | 1s | 24.149966 | .07730231 |
| 3 | 2s | 15.039090 | .01927895 |
| 4 | 3s | 18.605207 | -.01560893 |
| 5 | 5s | 40.539636 | .00084914 |
| 6 | 4s | 97.060443 | -.00003082 |
| 7 | 5s | 12.449680 | .00034209 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090725 | < R2 > | .011030 | < 1/R > | 16.625866 | < 1/R**2 > | 556.412280 |
Total Energy= -388.14476061 a.u.
Kinetic Energy= 388.18534056 a.u.
Potential Energy= -776.33010116 a.u.
Virial Ratio = -1.99989546