(1s 2 2s 2 2p 5 3p 1 ) 3 P Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 5.125258 | .56932121 |
| 2 | 3p | 3.003278 | -1.19548699 |
| 3 | 4p | 8.402965 | -.06686153 |
| 4 | 2p | 12.414263 | .04382934 |
| 5 | 5p | 21.461853 | .00180836 |
| 6 | 4p | 6.571950 | -.02902652 |
| 7 | 5p | 3.197034 | .02918063 |
| ORB.ENERGY,a.u. | -4.480100 | ||
| NORM | 1.000000 | < R > | 1.238731 | < R2 > | 1.754882 | < 1/R > | 1.091059 | < 1/R**2 > | 2.567012 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.821821 | 1.19990244 |
| 2 | 3p | 6.803659 | -.27027615 |
| 3 | 2p | 12.971638 | .06893154 |
| 4 | 4p | 15.844664 | .00927135 |
| 5 | 5p | 4.511113 | .00104211 |
| 6 | 5p | 39.215342 | -.00014274 |
| ORB.ENERGY,a.u. | -13.599000 | ||
| NORM | 1.000000 | < R > | .387982 | < R2 > | .185113 | < 1/R > | 3.317518 | < 1/R**2 > | 15.195135 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.630618 | .38982063 |
| 2 | 2s | 7.157023 | -.84091640 |
| 3 | 3s | 6.478377 | -.30462491 |
| 4 | 4s | 18.247092 | .00493688 |
| 5 | 3s | 20.363096 | .00736385 |
| 6 | 5s | 36.028283 | .00043810 |
| 7 | 5s | 5.444294 | -.00630370 |
| 8 | 4s | 3.704812 | .00228683 |
| 9 | 3s | 2.606021 | -.00094012 |
| 10 | 2s | 68.557088 | .00001962 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .430617 | < R2 > | .218758 | < 1/R > | 3.399614 | < 1/R**2 > | 47.365067 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.184213 | .92715360 |
| 2 | 1s | 23.760398 | .06848106 |
| 3 | 2s | 10.358719 | .02104246 |
| 4 | 3s | 12.796520 | -.02104350 |
| 5 | 4s | 15.736649 | .01062892 |
| 6 | 5s | 40.657812 | .00069403 |
| 7 | 4s | 91.645583 | -.00003583 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091170 | < R2 > | .011162 | < 1/R > | 16.574055 | < 1/R**2 > | 553.724035 |
Total Energy= -436.50379038 a.u.
Kinetic Energy= 436.48178520 a.u.
Potential Energy= -872.98557557 a.u.
Virial Ratio = -2.00005041