(1s 2 2s 2 2p 6 3s 2 4p 1 ) 2 P Cl 4+
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 | 1.069161 | .32024178 |
| 2 | 5p | 1.726995 | .91471772 |
| 3 | 4p | 2.998599 | -.63286949 |
| 4 | 2p | 7.801036 | .14450838 |
| 5 | 5p | 5.476526 | -.12109321 |
| 6 | 3p | 12.041757 | -.00991379 |
| 7 | 4p | 16.774710 | .00141608 |
| ORB.ENERGY,a.u. | -1.114100 | ||
| NORM | 1.000000 | < R > | 3.230559 | < R2 > | 11.751801 | < 1/R > | .423418 | < 1/R**2 > | .537380 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.816142 | -.38895242 |
| 2 | 1s | 12.337390 | .20070725 |
| 3 | 1s | 61.664686 | .00009377 |
| 4 | 2s | 5.982560 | -.24687228 |
| 5 | 3s | 2.806065 | 1.09485237 |
| 6 | 4s | 4.390535 | .14708078 |
| 7 | 3s | 36.682323 | -.00057931 |
| 8 | 5s | 2.271053 | .00761806 |
| ORB.ENERGY,a.u. | -3.147200 | ||
| NORM | 1.000000 | < R > | 1.334390 | < R2 > | 2.021416 | < 1/R > | 1.025026 | < 1/R**2 > | 6.183398 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.740660 | .43486275 |
| 2 | 3p | 7.674647 | .49948705 |
| 3 | 5p | 5.028174 | .00846416 |
| 4 | 4p | 6.295071 | .16268386 |
| 5 | 2p | 22.411012 | .00221504 |
| 6 | 5p | 37.705648 | -.00015716 |
| 7 | 4p | 87.493116 | .00000298 |
| 8 | 3p | 86.262430 | .00000173 |
| 9 | 4p | 1.054200 | -.00004266 |
| ORB.ENERGY,a.u. | -10.431000 | ||
| NORM | 1.000000 | < R > | .403386 | < R2 > | .201532 | < 1/R > | 3.214823 | < 1/R**2 > | 14.378707 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.718980 | .37851246 |
| 2 | 2s | 6.938519 | -.77078421 |
| 3 | 3s | 6.268030 | -.16400567 |
| 4 | 4s | 28.143955 | .00191289 |
| 5 | 2s | 5.125529 | -.19597218 |
| 6 | 3s | 17.063903 | .00746961 |
| 7 | 4s | 1.933915 | .00012251 |
| 8 | 5s | 63.504052 | .00001773 |
| 9 | 2s | 28.430911 | .00002329 |
| ORB.ENERGY,a.u. | -12.871000 | ||
| NORM | 1.000000 | < R > | .439089 | < R2 > | .228068 | < 1/R > | 3.332850 | < 1/R**2 > | 45.665744 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.580211 | 1.01102744 |
| 2 | 2s | 20.573279 | -.01839469 |
| 3 | 3s | 15.144992 | .01697665 |
| 4 | 4s | 61.272568 | -.00040555 |
| 5 | 4s | 8.596699 | .00128288 |
| 6 | 5s | 78.830413 | .00011761 |
| 7 | 5s | 8.822677 | -.00053603 |
| 8 | 2s | 28.634809 | -.00344352 |
| 9 | 2s | 156.154955 | .00000262 |
| 10 | 3s | 5.768887 | .00009350 |
| ORB.ENERGY,a.u. | -106.790000 |
| NORM | 1.000000 | < R > | .091265 | < R2 > | .011191 | < 1/R > | 16.563293 | < 1/R**2 > | 553.165337 |
Total Energy= -453.52348729 a.u.
Kinetic Energy= 453.52348765 a.u.
Potential Energy= -907.04697495 a.u.
Virial Ratio = -2.00000000