(1s 2 2s 2 2p 6 3s 2 3p 2 5d 1 ) 4 F Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4352.
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 | 5d- electron | |
| 1 | 3d | 1.352157 | .30995657 |
| 2 | 4d | .773058 | -1.82263423 |
| 3 | 5d | .662383 | 2.07738611 |
| 4 | 3d | 2.684260 | .15601950 |
| 5 | 4d | 3.325486 | -.04160695 |
| 6 | 5d | 10.306476 | .00043553 |
| 7 | 3d | 7.805490 | .00457860 |
| ORB.ENERGY,a.u. | -.395890 | ||
| NORM | 1.000004 | < R > | 9.529773 | < R2 > | 102.736690 | < 1/R > | .147094 | < 1/R**2 > | .053096 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.838928 | .37654024 |
| 2 | 2p | 1.766899 | -.77514299 |
| 3 | 3p | 2.434360 | -.38417130 |
| 4 | 2p | 9.297123 | .10530743 |
| 5 | 4p | 1.862081 | .03391129 |
| 6 | 3p | 12.512852 | -.00680645 |
| 7 | 4p | 33.595876 | -.00055072 |
| 8 | 5p | 46.474246 | .00016619 |
| 9 | 5p | .458526 | -.00005675 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.524514 | < R2 > | 2.681217 | < 1/R > | .875170 | < 1/R**2 > | 1.683324 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.378676 | -.33379124 |
| 2 | 1s | 12.269745 | .19693569 |
| 3 | 1s | 65.659617 | .00007374 |
| 4 | 2s | 5.664617 | -.22516861 |
| 5 | 3s | 2.696168 | .99638978 |
| 6 | 4s | 4.729588 | .11558724 |
| 7 | 3s | 37.007074 | -.00056465 |
| 8 | 5s | 2.547286 | .08236143 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.413768 | < R2 > | 2.281908 | < 1/R > | .962237 | < 1/R**2 > | 5.408063 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.957500 | .41315705 |
| 2 | 3p | 7.908482 | .49203951 |
| 3 | 4p | 6.545206 | .18789127 |
| 4 | 5p | 5.331625 | .01823806 |
| 5 | 5p | 34.499484 | -.00019940 |
| 6 | 3p | 2.488578 | .00153273 |
| 7 | 2p | 24.111148 | .00153302 |
| 8 | 4p | 87.244027 | .00000686 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404800 | < R2 > | .203213 | < 1/R > | 3.206723 | < 1/R**2 > | 14.317268 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.753968 | .37591863 |
| 2 | 2s | 6.936955 | -.76842839 |
| 3 | 3s | 6.418085 | -.16215090 |
| 4 | 4s | 26.702817 | .00171008 |
| 5 | 2s | 4.893794 | -.19785180 |
| 6 | 3s | 17.899565 | .00647482 |
| 7 | 4s | 2.873109 | -.00051264 |
| 8 | 5s | 44.710017 | .00011483 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440570 | < R2 > | .229825 | < 1/R > | 3.322425 | < 1/R**2 > | 45.407030 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578494 | 1.01107673 |
| 2 | 2s | 20.676338 | -.01844134 |
| 3 | 3s | 15.069471 | .01706038 |
| 4 | 4s | 62.068253 | -.00038917 |
| 5 | 4s | 8.149732 | .00130049 |
| 6 | 5s | 80.199826 | .00011159 |
| 7 | 5s | 8.284924 | -.00056766 |
| 8 | 2s | 28.467935 | -.00340506 |
| 9 | 2s | 164.207950 | .00000223 |
| 10 | 3s | 1.785288 | -.00000738 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091282 | < R2 > | .011196 | < 1/R > | 16.561292 | < 1/R**2 > | 553.061775 |
Total Energy= -457.00077746 a.u.
Kinetic Energy= 457.00411469 a.u.
Potential Energy= -914.00489215 a.u.
Virial Ratio = -1.99999270