(1s 2 2s 2 2p 2 4p 1 ) 4 S Cl 10+
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 | 7.765154 | .25704584 |
| 2 | 3p | 2.713999 | -.59430701 |
| 3 | 5p | 3.126648 | 1.51761972 |
| 4 | 4p | 4.549505 | -.65499719 |
| 5 | 5p | 9.918055 | .03122470 |
| 6 | 4p | 22.349573 | -.00278003 |
| 7 | 5p | 2.687630 | .13129403 |
| 8 | 4p | 74.775279 | -.00006396 |
| 9 | 5p | 49.216085 | -.00030263 |
| ORB.ENERGY,a.u. | -4.108900 | ||
| NORM | 1.000000 | < R > | 1.929276 | < R2 > | 4.206106 | < 1/R > | .713737 | < 1/R**2 > | 1.312436 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.019309 | 1.20787767 |
| 2 | 3p | 9.204485 | -.22942435 |
| 3 | 4p | 11.551767 | .02981824 |
| 4 | 5p | 3.104485 | .05713698 |
| 5 | 4p | 2.894965 | -.03528167 |
| 6 | 5p | 23.799142 | -.00173605 |
| 7 | 4p | 30.337418 | -.00200431 |
| 8 | 3p | 4.387600 | -.01157810 |
| 9 | 3p | 40.178246 | -.00024255 |
| ORB.ENERGY,a.u. | -21.021000 | ||
| NORM | 1.000000 | < R > | .350490 | < R2 > | .150337 | < 1/R > | 3.615754 | < 1/R**2 > | 17.709653 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.310315 | .43145248 |
| 2 | 2s | 7.501451 | -.86877040 |
| 3 | 3s | 7.662608 | -.28593969 |
| 4 | 4s | 28.977611 | .00197122 |
| 5 | 3s | 15.347586 | .01902003 |
| 6 | 5s | 7.739389 | -.02414072 |
| 7 | 4s | 2.465356 | .00014482 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .404369 | < R2 > | .191562 | < 1/R > | 3.631257 | < 1/R**2 > | 53.483199 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.059577 | .92145466 |
| 2 | 1s | 24.150961 | .07730868 |
| 3 | 2s | 14.980568 | .01930885 |
| 4 | 3s | 18.606985 | -.01561015 |
| 5 | 5s | 40.357937 | .00085080 |
| 6 | 4s | 97.397345 | -.00003089 |
| 7 | 5s | 12.958389 | .00030010 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090741 | < R2 > | .011034 | < 1/R > | 16.623879 | < 1/R**2 > | 556.305439 |
Total Energy= -385.28362204 a.u.
Kinetic Energy= 385.26806218 a.u.
Potential Energy= -770.55168422 a.u.
Virial Ratio = -2.00004039