(1s 2 2s 2 2p 1 4d 1 ) 1 P Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1142.
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 | 4d- electron | |
| 1 | 3d | 3.306968 | 1.51905982 |
| 2 | 4d | 2.985820 | -2.02333834 |
| 3 | 3d | 7.994425 | .02760147 |
| 4 | 5d | 2.568247 | .00415451 |
| 5 | 4d | 17.403418 | -.00081262 |
| 6 | 5d | 11.210296 | -.00773660 |
| ORB.ENERGY,a.u. | -4.536500 | ||
| NORM | 1.000001 | < R > | 1.729229 | < R2 > | 3.425118 | < 1/R > | .765809 | < 1/R**2 > | .956737 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.148668 | 1.08300626 |
| 2 | 3p | 8.576190 | -.09622961 |
| 3 | 2p | 17.792215 | .01130102 |
| 4 | 5p | 21.786988 | .00221524 |
| 5 | 5p | 7.452094 | .00271466 |
| 6 | 4p | 3.664449 | .00031783 |
| ORB.ENERGY,a.u. | -23.260000 | ||
| NORM | 1.000000 | < R > | .342007 | < R2 > | .141461 | < 1/R > | 3.691091 | < 1/R**2 > | 18.402255 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.571911 | .38472839 |
| 2 | 2s | 6.565983 | -.81460681 |
| 3 | 3s | 9.428403 | -.28488726 |
| 4 | 4s | 31.949151 | .00113022 |
| 5 | 5s | 18.317904 | -.00938574 |
| 6 | 5s | 7.238231 | .01712329 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .396394 | < R2 > | .183776 | < 1/R > | 3.709486 | < 1/R**2 > | 55.613753 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.196901 | .93707161 |
| 2 | 1s | 24.922896 | .06011243 |
| 3 | 2s | 14.900063 | .02010785 |
| 4 | 3s | 18.251051 | -.01485718 |
| 5 | 4s | 81.983654 | -.00006445 |
| 6 | 5s | 38.987651 | .00065359 |
| 7 | 4s | 7.994615 | .00004684 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090550 | < R2 > | .010978 | < 1/R > | 16.646637 | < 1/R**2 > | 557.495446 |
Total Energy= -364.03154879 a.u.
Kinetic Energy= 363.95806784 a.u.
Potential Energy= -727.98961663 a.u.
Virial Ratio = -2.00020189