(1s 2 2s 2 2p 1 5p 1 ) 1 D Cl 11+
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 | 5.655426 | .32024133 |
| 2 | 3p | 2.800417 | -3.44366574 |
| 3 | 4p | 2.463155 | 9.55779221 |
| 4 | 5p | 2.467990 | -6.97866043 |
| 5 | 2p | 18.178117 | .00170439 |
| 6 | 5p | 8.620792 | .03944442 |
| 7 | 5p | 4.307234 | -.19437519 |
| 8 | 4p | 39.261400 | -.00002806 |
| ORB.ENERGY,a.u. | -3.026400 | ||
| NORM | 1.000000 | < R > | 2.891135 | < R2 > | 9.404975 | < 1/R > | .470529 | < 1/R**2 > | .565302 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.246919 | 1.01197039 |
| 2 | 3p | 1.773230 | -.33966116 |
| 3 | 2p | 16.849388 | .01893892 |
| 4 | 5p | 13.277724 | -.01513358 |
| 5 | 5p | 3.210668 | .30337275 |
| 6 | 4p | 1.549407 | .04804314 |
| 7 | 3p | 19.439884 | .00057263 |
| 8 | 3p | 1.171607 | -.01197305 |
| 9 | 4p | 32.693087 | -.00035604 |
| ORB.ENERGY,a.u. | -23.616000 | ||
| NORM | 1.000000 | < R > | .347654 | < R2 > | .174913 | < 1/R > | 3.721214 | < 1/R**2 > | 18.705750 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.554875 | .38567184 |
| 2 | 2s | 6.585050 | -.81464901 |
| 3 | 3s | 9.409851 | -.28562428 |
| 4 | 4s | 31.634904 | .00125865 |
| 5 | 5s | 18.214288 | -.00896435 |
| 6 | 5s | 7.257038 | .01665028 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .396127 | < R2 > | .183505 | < 1/R > | 3.712054 | < 1/R**2 > | 55.686374 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.193055 | .93682029 |
| 2 | 1s | 24.897484 | .06048485 |
| 3 | 2s | 14.835062 | .02007063 |
| 4 | 3s | 18.189212 | -.01490287 |
| 5 | 4s | 80.927087 | -.00006864 |
| 6 | 5s | 38.942517 | .00061552 |
| 7 | 4s | 6.240914 | .00002160 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090557 | < R2 > | .010980 | < 1/R > | 16.645788 | < 1/R**2 > | 557.449317 |
Total Energy= -362.46091182 a.u.
Kinetic Energy= 362.44646962 a.u.
Potential Energy= -724.90738143 a.u.
Virial Ratio = -2.00003985