(1s 2 2s 2 2p 6 3s 2 3p 2 4p 1 ) 4 S Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4041.
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 | 4p- electron | |
| 1 | 2p | .676001 | .58239827 |
| 2 | 5p | 1.306323 | .65827841 |
| 3 | 4p | 3.786047 | -.21885838 |
| 4 | 2p | 7.404430 | .07188206 |
| 5 | 5p | 2.775201 | -.27988101 |
| 6 | 3p | 10.243951 | -.00912485 |
| 7 | 4p | 32.674735 | -.00008964 |
| 8 | 3p | .635639 | -.08836388 |
| ORB.ENERGY,a.u. | -.698910 | ||
| NORM | 1.000000 | < R > | 4.305832 | < R2 > | 20.338124 | < 1/R > | .273425 | < 1/R**2 > | .155315 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.836031 | .39570673 |
| 2 | 2p | 1.841651 | -.77836422 |
| 3 | 3p | 2.346112 | -.39457232 |
| 4 | 2p | 9.456712 | .10158590 |
| 5 | 4p | 1.115836 | .08365527 |
| 6 | 3p | 19.126166 | -.00223406 |
| 7 | 4p | 15.047003 | -.00311614 |
| 8 | 5p | 83.858415 | .00000782 |
| 9 | 5p | .491703 | .00009424 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.494061 | < R2 > | 2.571905 | < 1/R > | .889858 | < 1/R**2 > | 1.731662 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.473016 | -.32446378 |
| 2 | 1s | 12.241473 | .19786743 |
| 3 | 1s | 59.795347 | .00009824 |
| 4 | 2s | 5.722436 | -.22102600 |
| 5 | 3s | 2.605122 | .98796285 |
| 6 | 4s | 4.624149 | .14648986 |
| 7 | 3s | 36.224257 | -.00055696 |
| 8 | 5s | 2.345744 | .04058174 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.415820 | < R2 > | 2.289195 | < 1/R > | .960841 | < 1/R**2 > | 5.392000 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.988084 | .41262608 |
| 2 | 3p | 7.910639 | .49534399 |
| 3 | 4p | 6.502537 | .18998314 |
| 4 | 5p | 5.123866 | .01594819 |
| 5 | 5p | 20.028107 | -.00067167 |
| 6 | 3p | 1.616356 | .00055205 |
| 7 | 2p | 25.457589 | .00107336 |
| 8 | 4p | 27.272078 | -.00074545 |
| 9 | 4p | .957593 | .00022957 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404841 | < R2 > | .203255 | < 1/R > | 3.206403 | < 1/R**2 > | 14.314553 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.753716 | .37585778 |
| 2 | 2s | 6.936415 | -.76838458 |
| 3 | 3s | 6.415228 | -.16216225 |
| 4 | 4s | 26.657555 | .00171565 |
| 5 | 2s | 4.894259 | -.19783948 |
| 6 | 3s | 17.853149 | .00648860 |
| 7 | 4s | 3.191314 | -.00061350 |
| 8 | 5s | 44.889980 | .00012329 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440655 | < R2 > | .229922 | < 1/R > | 3.321796 | < 1/R**2 > | 45.391276 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578361 | 1.01107931 |
| 2 | 2s | 20.682064 | -.01844367 |
| 3 | 3s | 15.065595 | .01706506 |
| 4 | 4s | 62.013536 | -.00038843 |
| 5 | 4s | 8.158473 | .00129741 |
| 6 | 5s | 80.166221 | .00011153 |
| 7 | 5s | 8.294114 | -.00056685 |
| 8 | 2s | 28.465529 | -.00340470 |
| 9 | 2s | 160.663648 | .00000233 |
| 10 | 3s | 1.918716 | -.00000790 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091283 | < R2 > | .011196 | < 1/R > | 16.561113 | < 1/R**2 > | 553.052423 |
Total Energy= -457.29800034 a.u.
Kinetic Energy= 457.30690739 a.u.
Potential Energy= -914.60490772 a.u.
Virial Ratio = -1.99998052