(1s 2 2s 2 2p 6 3s 2 3p 4 4s 1 ) 2 P Cl 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2140.
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 | 10.540512 | .03139320 |
| 2 | 2s | 8.954992 | -.05034394 |
| 3 | 3s | 2.736676 | .16654843 |
| 4 | 4s | .752757 | -.75560978 |
| 5 | 5s | 1.381606 | -.20621497 |
| 6 | 5s | 8.959129 | -.03049332 |
| 7 | 3s | .425059 | -.67312513 |
| 8 | 4s | 11.404198 | -.01670724 |
| 9 | 2s | .333580 | .56622286 |
| 10 | 5s | .313582 | -.00918814 |
| ORB.ENERGY,a.u. | -.287330 | ||
| NORM | 1.000000 | < R > | 6.064303 | < R2 > | 41.738145 | < 1/R > | .199831 | < 1/R**2 > | .183310 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.579267 | .83020940 |
| 2 | 2p | 1.873907 | -1.07282316 |
| 3 | 3p | 4.235896 | -.38077349 |
| 4 | 2p | 9.691976 | .08038234 |
| 5 | 3p | 16.121285 | -.00242905 |
| 6 | 4p | 1.719284 | -.14297401 |
| 7 | 5p | 2.196627 | -.03580247 |
| 8 | 5p | 46.913849 | -.00004369 |
| 9 | 3p | 1.217612 | -.02432472 |
| ORB.ENERGY,a.u. | -.592220 | ||
| NORM | 1.000000 | < R > | 1.712602 | < R2 > | 3.446091 | < 1/R > | .781260 | < 1/R**2 > | 1.350877 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.471317 | 1.78958613 |
| 2 | 1s | 16.036207 | .04353077 |
| 3 | 2s | 5.987974 | -1.02147992 |
| 4 | 3s | 1.390017 | -.03939942 |
| 5 | 4s | 4.917724 | -.28992946 |
| 6 | 5s | 7.840599 | -.11083390 |
| 7 | 3s | 52.035236 | -.00030492 |
| 8 | 2s | .230141 | -.00864694 |
| 9 | 4s | 75.660383 | .00009473 |
| 10 | 2s | 147.524611 | -.00000386 |
| 11 | 5s | .377792 | .00543889 |
| ORB.ENERGY,a.u. | -1.213500 | ||
| NORM | 1.000000 | < R > | 1.503805 | < R2 > | 2.606350 | < 1/R > | .902999 | < 1/R**2 > | 4.731003 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.398556 | .46600227 |
| 2 | 3p | 7.267734 | .51314155 |
| 3 | 4p | 5.779950 | .11693238 |
| 4 | 5p | 3.734217 | .00320230 |
| 5 | 2p | 19.414738 | .00433982 |
| 6 | 5p | 37.759356 | -.00021284 |
| 7 | 3p | 1.484966 | .00042310 |
| 8 | 4p | 105.021322 | .00000324 |
| 9 | 3p | 29.298786 | -.00015175 |
| ORB.ENERGY,a.u. | -7.865700 | ||
| NORM | 1.000000 | < R > | .405554 | < R2 > | .204111 | < 1/R > | 3.202349 | < 1/R**2 > | 14.283793 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.760316 | .37494158 |
| 2 | 2s | 6.933278 | -.76845240 |
| 3 | 3s | 6.433258 | -.16186082 |
| 4 | 4s | 28.173604 | .00174729 |
| 5 | 2s | 4.837664 | -.19783806 |
| 6 | 3s | 17.507134 | .00670439 |
| 7 | 4s | 3.011279 | -.00147172 |
| 8 | 5s | .768724 | .00009759 |
| ORB.ENERGY,a.u. | -10.336000 | ||
| NORM | 1.000000 | < R > | .441496 | < R2 > | .230932 | < 1/R > | 3.315942 | < 1/R**2 > | 45.246341 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577195 | 1.01112561 |
| 2 | 2s | 20.730266 | -.01850394 |
| 3 | 3s | 15.044121 | .01709808 |
| 4 | 4s | 62.513661 | -.00037545 |
| 5 | 4s | 8.159104 | .00126807 |
| 6 | 5s | 80.828332 | .00010692 |
| 7 | 5s | 8.235998 | -.00055123 |
| 8 | 2s | 28.331134 | -.00339266 |
| 9 | 2s | 166.882201 | .00000210 |
| 10 | 3s | 2.424050 | -.00002212 |
| ORB.ENERGY,a.u. | -104.100000 |
| NORM | 1.000000 | < R > | .091293 | < R2 > | .011199 | < 1/R > | 16.559986 | < 1/R**2 > | 552.994363 |
Total Energy= -459.18114978 a.u.
Kinetic Energy= 459.17625268 a.u.
Potential Energy= -918.35740246 a.u.
Virial Ratio = -2.00001066