(1s 2 2s 2 2p 3 3p 1 ) 5 P Cl 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5131.
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 | 3p- electron | |
| 1 | 2p | 3.167295 | 1.86603841 |
| 2 | 3p | 3.705438 | -2.54008482 |
| 3 | 2p | 10.845528 | .09828231 |
| 4 | 4p | 6.480182 | -.13149660 |
| 5 | 5p | 3.352684 | -.05069446 |
| 6 | 4p | 14.269634 | .01154666 |
| 7 | 5p | 41.411020 | -.00006405 |
| 8 | 4p | 2.590642 | .00806507 |
| ORB.ENERGY,a.u. | -6.574700 | ||
| NORM | 1.000000 | < R > | 1.058579 | < R2 > | 1.284275 | < 1/R > | 1.290980 | < 1/R**2 > | 3.509135 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.742605 | 1.28009306 |
| 2 | 3p | 8.655330 | -.34568502 |
| 3 | 4p | 10.822694 | .06166898 |
| 4 | 4p | 27.549942 | -.00166883 |
| 5 | 5p | 5.685784 | .00732455 |
| 6 | 3p | 33.443990 | -.00033660 |
| 7 | 4p | 5.439191 | -.00193100 |
| ORB.ENERGY,a.u. | -18.342000 | ||
| NORM | 1.000000 | < R > | .362612 | < R2 > | .160177 | < 1/R > | 3.509797 | < 1/R**2 > | 16.792319 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.386851 | .41768935 |
| 2 | 2s | 7.377844 | -.86592171 |
| 3 | 3s | 7.142758 | -.29009785 |
| 4 | 4s | 29.050621 | .00187741 |
| 5 | 3s | 15.431716 | .01650925 |
| 6 | 5s | 6.848914 | -.01378575 |
| ORB.ENERGY,a.u. | -18.579000 | ||
| NORM | 1.000000 | < R > | .413685 | < R2 > | .200997 | < 1/R > | 3.545404 | < 1/R**2 > | 51.184072 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.178043 | .94147939 |
| 2 | 1s | 25.269041 | .05619636 |
| 3 | 2s | 14.519831 | .01863253 |
| 4 | 3s | 20.471089 | -.01475602 |
| 5 | 4s | 30.990947 | .00269633 |
| 6 | 5s | 60.503764 | .00009100 |
| 7 | 5s | 12.845393 | .00048489 |
| ORB.ENERGY,a.u. | -114.870000 |
| NORM | 1.000000 | < R > | .090918 | < R2 > | .011086 | < 1/R > | 16.602959 | < 1/R**2 > | 555.216344 |
Total Energy= -407.16132151 a.u.
Kinetic Energy= 407.23611014 a.u.
Potential Energy= -814.39743164 a.u.
Virial Ratio = -1.99981635