(1s 2 2s 2 2p 4 4p 1 ) 4 D Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4241.
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 | 8.326628 | .20365210 |
| 2 | 3p | 1.875563 | 2.22701731 |
| 3 | 4p | 3.632398 | -1.58484092 |
| 4 | 5p | 6.447859 | -.14855240 |
| 5 | 3p | 18.758891 | -.00179935 |
| 6 | 5p | 1.857717 | -.39839604 |
| 7 | 4p | 1.366218 | .14834764 |
| 8 | 3p | .854189 | -.04788461 |
| 9 | 4p | 52.034908 | .00002005 |
| 10 | 2p | .615658 | .02216590 |
| ORB.ENERGY,a.u. | -2.914300 | ||
| NORM | 1.000000 | < R > | 2.221372 | < R2 > | 5.581668 | < 1/R > | .637307 | < 1/R**2 > | 1.174215 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.038609 | 1.12697573 |
| 2 | 3p | 6.797618 | -.20754667 |
| 3 | 2p | 12.763028 | .07667942 |
| 4 | 4p | 15.034072 | .01232217 |
| 5 | 5p | 43.116138 | -.00012302 |
| 6 | 5p | 5.416481 | -.00045739 |
| 7 | 4p | 2.093951 | -.00038122 |
| ORB.ENERGY,a.u. | -16.081000 | ||
| NORM | 1.000000 | < R > | .374398 | < R2 > | .171404 | < 1/R > | 3.416296 | < 1/R**2 > | 16.004334 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.489019 | .40526497 |
| 2 | 2s | 7.289932 | -.85540209 |
| 3 | 3s | 6.786085 | -.29946373 |
| 4 | 4s | 17.230475 | .00822865 |
| 5 | 3s | 20.534263 | .00810562 |
| 6 | 5s | 34.251485 | .00072862 |
| 7 | 5s | 6.600363 | -.00615951 |
| 8 | 4s | 2.987073 | .00032611 |
| 9 | 2s | 83.313077 | .00001138 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .421020 | < R2 > | .208501 | < 1/R > | 3.479570 | < 1/R**2 > | 49.439899 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.158603 | .92086241 |
| 2 | 1s | 23.396921 | .07544600 |
| 3 | 2s | 10.473466 | .02018655 |
| 4 | 3s | 12.706741 | -.02019259 |
| 5 | 4s | 15.361093 | .00906515 |
| 6 | 5s | 41.380798 | .00074646 |
| 7 | 4s | 97.067094 | -.00002782 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091038 | < R2 > | .011122 | < 1/R > | 16.589258 | < 1/R**2 > | 554.509165 |
Total Energy= -420.23838592 a.u.
Kinetic Energy= 420.24971965 a.u.
Potential Energy= -840.48810557 a.u.
Virial Ratio = -1.99997303