(1s 2 2s 2 2p 5 5p 1 ) 1 D Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 5p- electron | |
| 1 | 2p | 4.677360 | .21305109 |
| 2 | 3p | 2.278759 | -1.88361930 |
| 3 | 4p | 1.879557 | 4.56843074 |
| 4 | 5p | 1.717039 | -3.34956277 |
| 5 | 5p | 15.937295 | .00150333 |
| 6 | 2p | 9.987224 | .04738456 |
| 7 | 5p | 1.580298 | -.16072884 |
| 8 | 4p | 37.037545 | -.00011512 |
| ORB.ENERGY,a.u. | -1.454400 | ||
| NORM | 1.000003 | < R > | 4.016464 | < R2 > | 18.138507 | < 1/R > | .357670 | < 1/R**2 > | .471083 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.877449 | 1.18761825 |
| 2 | 3p | 6.918234 | -.25417290 |
| 3 | 2p | 13.144579 | .06514029 |
| 4 | 4p | 15.996570 | .01039835 |
| 5 | 4p | 1.373495 | -.00081643 |
| 6 | 5p | 2.541151 | .00090405 |
| 7 | 4p | 64.779494 | .00002441 |
| ORB.ENERGY,a.u. | -14.315000 | ||
| NORM | 1.000000 | < R > | .386993 | < R2 > | .184031 | < 1/R > | 3.323859 | < 1/R**2 > | 15.245172 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.610310 | .39163872 |
| 2 | 2s | 7.169185 | -.84290817 |
| 3 | 3s | 6.485909 | -.30512575 |
| 4 | 4s | 18.254860 | .00533066 |
| 5 | 3s | 20.582383 | .00679444 |
| 6 | 5s | 35.493947 | .00058543 |
| 7 | 5s | 5.567033 | -.00334249 |
| 8 | 4s | 3.721229 | .00157004 |
| 9 | 3s | 2.569171 | -.00053232 |
| 10 | 2s | 84.863092 | .00000912 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .429483 | < R2 > | .217462 | < 1/R > | 3.408058 | < 1/R**2 > | 47.578059 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.183630 | .92695683 |
| 2 | 1s | 23.719219 | .06885698 |
| 3 | 2s | 10.133594 | .02132601 |
| 4 | 3s | 12.560416 | -.02160867 |
| 5 | 4s | 15.573605 | .01061872 |
| 6 | 5s | 40.401030 | .00069930 |
| 7 | 4s | 93.225640 | -.00003775 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091155 | < R2 > | .011158 | < 1/R > | 16.575901 | < 1/R**2 > | 553.820695 |
Total Energy= -433.46156248 a.u.
Kinetic Energy= 433.45926004 a.u.
Potential Energy= -866.92082252 a.u.
Virial Ratio = -2.00000531