(1s 2 2s 2 2p 2 3d 1 ) 2 D Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 3.628562 | 1.07898430 |
| 2 | 3d | 9.222803 | .01955394 |
| 3 | 4d | 3.913761 | -.08712174 |
| 4 | 5d | 29.908866 | -.00013532 |
| 5 | 5d | 3.464189 | -.00665705 |
| 6 | 4d | 55.001386 | -.00000449 |
| ORB.ENERGY,a.u. | -6.767100 | ||
| NORM | 1.000000 | < R > | .937334 | < R2 > | 1.008558 | < 1/R > | 1.253608 | < 1/R**2 > | 1.908055 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.758667 | 1.13904290 |
| 2 | 3p | 7.762985 | -.16436739 |
| 3 | 2p | 16.099032 | .02132250 |
| 4 | 4p | 18.266679 | .00537927 |
| 5 | 5p | 30.639589 | -.00039500 |
| 6 | 5p | 5.752649 | -.00069200 |
| 7 | 4p | 76.795632 | .00001704 |
| ORB.ENERGY,a.u. | -20.181000 | ||
| NORM | 1.000000 | < R > | .351099 | < R2 > | .149489 | < 1/R > | 3.607422 | < 1/R**2 > | 17.646671 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.324864 | .42991496 |
| 2 | 2s | 7.486225 | -.86813972 |
| 3 | 3s | 7.571591 | -.28644346 |
| 4 | 4s | 28.399221 | .00205661 |
| 5 | 3s | 15.848115 | .01618074 |
| 6 | 5s | 7.421762 | -.02104673 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .405258 | < R2 > | .192535 | < 1/R > | 3.623976 | < 1/R**2 > | 53.289746 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.060950 | .92144210 |
| 2 | 1s | 24.149082 | .07730703 |
| 3 | 2s | 15.018783 | .01928960 |
| 4 | 3s | 18.604480 | -.01560956 |
| 5 | 5s | 40.482762 | .00084984 |
| 6 | 4s | 97.200144 | -.00003102 |
| 7 | 5s | 12.505186 | .00033309 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090730 | < R2 > | .011031 | < 1/R > | 16.625315 | < 1/R**2 > | 556.382799 |
Total Energy= -388.13306675 a.u.
Kinetic Energy= 387.92917016 a.u.
Potential Energy= -776.06223691 a.u.
Virial Ratio = -2.00052560