(1s 2 2s 2 2p 6 3s 2 3p 4 4p 1 ) 2 P Cl 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | .417479 | -.38086391 |
| 2 | 5p | .824853 | .15757231 |
| 3 | 4p | 3.207467 | -.01975581 |
| 4 | 2p | 5.535744 | .02037651 |
| 5 | 5p | 2.028671 | -.04774917 |
| 6 | 3p | 8.034885 | -.00595249 |
| 7 | 4p | .154210 | -.01006016 |
| 8 | 3p | .425661 | 1.20517250 |
| 9 | 4p | 44.129268 | -.00001596 |
| ORB.ENERGY,a.u. | -.244660 | ||
| NORM | 1.000000 | < R > | 8.666258 | < R2 > | 83.759275 | < 1/R > | .130270 | < 1/R**2 > | .021180 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.711492 | .78684000 |
| 2 | 2p | 1.894235 | -1.04750591 |
| 3 | 3p | 4.370416 | -.33587519 |
| 4 | 2p | 9.849181 | .07520525 |
| 5 | 3p | 17.538223 | -.00187101 |
| 6 | 5p | .621381 | .01174248 |
| 7 | 4p | 1.770645 | -.22181995 |
| 8 | 3p | .150348 | .00770867 |
| 9 | 4p | .170372 | -.00708760 |
| 10 | 4p | 83.878411 | .00000348 |
| ORB.ENERGY,a.u. | -.592220 | ||
| NORM | 1.000000 | < R > | 1.705564 | < R2 > | 3.416876 | < 1/R > | .783689 | < 1/R**2 > | 1.358130 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.185684 | .79325079 |
| 2 | 1s | 9.575190 | .16724731 |
| 3 | 2s | 5.069169 | -.64408237 |
| 4 | 3s | 2.567388 | .46050349 |
| 5 | 4s | 5.004084 | .04049616 |
| 6 | 2s | 9.828930 | -.15337606 |
| 7 | 2s | 16.834027 | -.00694260 |
| 8 | 5s | 1.657560 | -.04695301 |
| 9 | 4s | 29.040429 | .00053581 |
| ORB.ENERGY,a.u. | -1.213500 | ||
| NORM | 1.000000 | < R > | 1.506747 | < R2 > | 2.618664 | < 1/R > | .901570 | < 1/R**2 > | 4.716516 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.398139 | .46607029 |
| 2 | 3p | 7.267663 | .51307141 |
| 3 | 4p | 5.781313 | .11690019 |
| 4 | 5p | 3.741299 | .00318708 |
| 5 | 2p | 19.418240 | .00434004 |
| 6 | 5p | 37.749614 | -.00021225 |
| 7 | 3p | 1.471477 | .00044491 |
| 8 | 4p | 103.943796 | .00000329 |
| 9 | 3p | 29.364678 | -.00015118 |
| ORB.ENERGY,a.u. | -7.865700 | ||
| NORM | 1.000000 | < R > | .405531 | < R2 > | .204083 | < 1/R > | 3.202472 | < 1/R**2 > | 14.284720 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.761977 | .37486416 |
| 2 | 2s | 6.932908 | -.76838612 |
| 3 | 3s | 6.439893 | -.16180146 |
| 4 | 4s | 28.147135 | .00175101 |
| 5 | 2s | 4.830203 | -.19791502 |
| 6 | 3s | 17.539987 | .00664720 |
| 7 | 4s | 2.929157 | -.00137221 |
| 8 | 5s | 1.358428 | -.00001695 |
| ORB.ENERGY,a.u. | -10.336000 | ||
| NORM | 1.000000 | < R > | .441504 | < R2 > | .230940 | < 1/R > | 3.315863 | < 1/R**2 > | 45.244216 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577182 | 1.01112598 |
| 2 | 2s | 20.731140 | -.01850433 |
| 3 | 3s | 15.043809 | .01709847 |
| 4 | 4s | 62.498626 | -.00037535 |
| 5 | 4s | 8.164847 | .00126621 |
| 6 | 5s | 80.837428 | .00010689 |
| 7 | 5s | 8.244022 | -.00055028 |
| 8 | 2s | 28.331226 | -.00339259 |
| 9 | 2s | 165.731651 | .00000212 |
| 10 | 3s | 2.243687 | -.00002177 |
| ORB.ENERGY,a.u. | -104.100000 |
| NORM | 1.000000 | < R > | .091293 | < R2 > | .011199 | < 1/R > | 16.559966 | < 1/R**2 > | 552.993412 |
Total Energy= -459.13341680 a.u.
Kinetic Energy= 459.10572381 a.u.
Potential Energy= -918.23914061 a.u.
Virial Ratio = -2.00006032