(1s 2 2s 2 2p 5 4p 1 ) 3 P Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 8.182827 | .18598486 |
| 2 | 3p | 1.731322 | 2.13672275 |
| 3 | 4p | 3.307706 | -1.53185678 |
| 4 | 5p | 5.960866 | -.16378681 |
| 5 | 3p | 16.003601 | -.00218158 |
| 6 | 5p | 1.637764 | -.27473732 |
| 7 | 4p | 1.130475 | .13890955 |
| 8 | 3p | .728756 | -.08107940 |
| 9 | 4p | .708439 | .02437091 |
| 10 | 2p | 26.017395 | .00008838 |
| 11 | 4p | 90.322154 | .00000256 |
| ORB.ENERGY,a.u. | -2.353400 | ||
| NORM | 1.000000 | < R > | 2.442573 | < R2 > | 6.747685 | < 1/R > | .576989 | < 1/R**2 > | .974813 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.873196 | 1.18986793 |
| 2 | 3p | 6.923718 | -.25684567 |
| 3 | 2p | 13.020869 | .06652274 |
| 4 | 4p | 15.738861 | .00930953 |
| 5 | 5p | 40.316642 | -.00013618 |
| 6 | 5p | 3.564247 | .00033653 |
| ORB.ENERGY,a.u. | -14.097000 | ||
| NORM | 1.000000 | < R > | .387217 | < R2 > | .184268 | < 1/R > | 3.322409 | < 1/R**2 > | 15.233782 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.583539 | .39257565 |
| 2 | 2s | 7.177928 | -.84179029 |
| 3 | 3s | 6.559048 | -.30355826 |
| 4 | 4s | 12.157170 | .00213653 |
| 5 | 3s | 16.889317 | .01152344 |
| 6 | 5s | 36.037873 | .00074363 |
| 7 | 5s | 6.613957 | -.00931807 |
| 8 | 4s | 2.162966 | .00015896 |
| 9 | 3s | 68.208502 | -.00003047 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .429734 | < R2 > | .217741 | < 1/R > | 3.406120 | < 1/R**2 > | 47.528675 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.183072 | .92715640 |
| 2 | 1s | 23.741216 | .06866284 |
| 3 | 2s | 10.159417 | .02130314 |
| 4 | 3s | 12.546301 | -.02162964 |
| 5 | 4s | 15.514698 | .01069610 |
| 6 | 5s | 40.682569 | .00066516 |
| 7 | 4s | 89.814238 | -.00003819 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091159 | < R2 > | .011159 | < 1/R > | 16.575457 | < 1/R**2 > | 553.797487 |
Total Energy= -434.36517087 a.u.
Kinetic Energy= 434.35733570 a.u.
Potential Energy= -868.72250658 a.u.
Virial Ratio = -2.00001804