(1s 2 2s 2 2p 6 3s 2 3p 2 5p 1 ) 4 S Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4051.
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 | 5p- electron | |
| 1 | 2p | 11.091070 | .00987832 |
| 2 | 2p | 5.470486 | .05625741 |
| 3 | 5p | 2.324646 | -.11146015 |
| 4 | 4p | 14.463965 | .00120045 |
| 5 | 4p | 1.080500 | 1.22783533 |
| 6 | 5p | .787990 | -1.52303190 |
| 7 | 3p | 2.467695 | -.22388752 |
| ORB.ENERGY,a.u. | -.464840 | ||
| NORM | 1.000000 | < R > | 7.744819 | < R2 > | 66.926592 | < 1/R > | .165070 | < 1/R**2 > | .075883 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 1.413919 | -.35177975 |
| 2 | 3p | 2.497356 | -.75510948 |
| 3 | 2p | 7.501997 | .28790870 |
| 4 | 5p | 1.544354 | .07305422 |
| 5 | 3p | 11.951386 | -.00890302 |
| 6 | 4p | 6.949148 | .11845123 |
| 7 | 5p | .764578 | -.04362491 |
| 8 | 5p | 38.373228 | -.00009012 |
| 9 | 2p | 28.934231 | .00015652 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.519774 | < R2 > | 2.708435 | < 1/R > | .880080 | < 1/R**2 > | 1.700751 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.377429 | -.33389226 |
| 2 | 1s | 12.264457 | .19708149 |
| 3 | 1s | 63.697476 | .00008100 |
| 4 | 2s | 5.672874 | -.22513071 |
| 5 | 3s | 2.697766 | .99641988 |
| 6 | 4s | 4.713781 | .11539018 |
| 7 | 3s | 36.715204 | -.00056448 |
| 8 | 5s | 2.542230 | .08231414 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.413330 | < R2 > | 2.280557 | < 1/R > | .962630 | < 1/R**2 > | 5.413214 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.969191 | .41277165 |
| 2 | 3p | 7.908731 | .49295403 |
| 3 | 4p | 6.543717 | .18808732 |
| 4 | 5p | 5.287828 | .01863264 |
| 5 | 5p | 28.865720 | -.00032938 |
| 6 | 3p | 1.865240 | .00090169 |
| 7 | 2p | 23.189672 | .00157619 |
| 8 | 4p | 34.028933 | -.00027113 |
| 9 | 4p | .497874 | -.00022095 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404802 | < R2 > | .203214 | < 1/R > | 3.206660 | < 1/R**2 > | 14.316588 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.753754 | .37590659 |
| 2 | 2s | 6.936714 | -.76843283 |
| 3 | 3s | 6.417189 | -.16215736 |
| 4 | 4s | 26.692994 | .00170945 |
| 5 | 2s | 4.894151 | -.19784735 |
| 6 | 3s | 17.867662 | .00648525 |
| 7 | 4s | 2.935729 | -.00051687 |
| 8 | 5s | 44.682747 | .00012101 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440591 | < R2 > | .229847 | < 1/R > | 3.322250 | < 1/R**2 > | 45.402528 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578428 | 1.01107802 |
| 2 | 2s | 20.679118 | -.01844250 |
| 3 | 3s | 15.067582 | .01706266 |
| 4 | 4s | 62.042176 | -.00038881 |
| 5 | 4s | 8.153950 | .00129896 |
| 6 | 5s | 80.181096 | .00011156 |
| 7 | 5s | 8.289328 | -.00056731 |
| 8 | 2s | 28.466718 | -.00340489 |
| 9 | 2s | 162.552131 | .00000228 |
| 10 | 3s | 1.839464 | -.00000755 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091283 | < R2 > | .011196 | < 1/R > | 16.561204 | < 1/R**2 > | 553.057171 |
Total Energy= -457.07012881 a.u.
Kinetic Energy= 457.07292638 a.u.
Potential Energy= -914.14305519 a.u.
Virial Ratio = -1.99999388