(1s 2 2s 2 2p 3 4s 1 ) 5 S Cl 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5040.
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 | 4s- electron | |
| 1 | 1s | 13.522818 | .11621966 |
| 2 | 2s | 3.509929 | -1.51358529 |
| 3 | 3s | 3.393849 | 3.25274229 |
| 4 | 4s | 2.732932 | -2.20980421 |
| 5 | 5s | 4.789301 | -.19245485 |
| 6 | 4s | 14.018691 | -.01799151 |
| 7 | 5s | 18.382664 | .00115639 |
| 8 | 4s | 58.119160 | -.00005112 |
| ORB.ENERGY,a.u. | -3.740900 | ||
| NORM | 1.000000 | < R > | 2.018932 | < R2 > | 4.579117 | < 1/R > | .715922 | < 1/R**2 > | 4.176779 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.772719 | 1.26817200 |
| 2 | 3p | 8.838409 | -.35081951 |
| 3 | 4p | 11.227416 | .07568221 |
| 4 | 5p | 21.979140 | .00332327 |
| 5 | 4p | 4.582051 | .00507653 |
| 6 | 5p | 21.930288 | -.00006501 |
| 7 | 5p | 4.206340 | -.00189431 |
| ORB.ENERGY,a.u. | -18.899000 | ||
| NORM | 1.000000 | < R > | .361632 | < R2 > | .159105 | < 1/R > | 3.515948 | < 1/R**2 > | 16.839498 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.295944 | .42289583 |
| 2 | 2s | 7.416983 | -.87828461 |
| 3 | 3s | 6.984546 | -.29290591 |
| 4 | 4s | 28.961324 | .00177717 |
| 5 | 3s | 15.520345 | .01785121 |
| 6 | 5s | 5.074337 | -.00691686 |
| 7 | 4s | 2.632842 | .00742849 |
| ORB.ENERGY,a.u. | -18.579000 | ||
| NORM | 1.000000 | < R > | .412783 | < R2 > | .200046 | < 1/R > | 3.553136 | < 1/R**2 > | 51.388174 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.180562 | .94102038 |
| 2 | 1s | 25.076308 | .05707563 |
| 3 | 2s | 13.834735 | .01855049 |
| 4 | 3s | 19.659280 | -.01520102 |
| 5 | 4s | 28.907125 | .00278031 |
| 6 | 5s | 53.572458 | .00022832 |
| 7 | 5s | 6.968691 | .00038173 |
| 8 | 4s | 2.159275 | -.00038829 |
| ORB.ENERGY,a.u. | -114.870000 |
| NORM | 1.000000 | < R > | .090888 | < R2 > | .011078 | < 1/R > | 16.606604 | < 1/R**2 > | 555.405829 |
Total Energy= -404.38310442 a.u.
Kinetic Energy= 404.40088440 a.u.
Potential Energy= -808.78398882 a.u.
Virial Ratio = -1.99995603