(1s 2 2s 2 2p 6 3s 2 3p 4 5p 1 ) 4 P Cl 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4151.
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 | 13.049756 | .00185277 |
| 2 | 2p | 6.786893 | .02488956 |
| 3 | 5p | 2.544171 | -.05519560 |
| 4 | 4p | .731733 | .27968441 |
| 5 | 5p | .362111 | -1.01482301 |
| 6 | 4p | 3.562983 | -.06741756 |
| 7 | 3p | .425865 | .43329845 |
| 8 | 2p | .118682 | -.34865093 |
| 9 | 5p | 22.996145 | .00011226 |
| 10 | 4p | .151957 | .17053231 |
| ORB.ENERGY,a.u. | -.204360 | ||
| NORM | 1.000000 | < R > | 15.949628 | < R2 > | 287.141427 | < 1/R > | .082575 | < 1/R**2 > | .022232 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.551489 | .80634832 |
| 2 | 2p | 1.815893 | -1.06849044 |
| 3 | 3p | 4.152164 | -.39541691 |
| 4 | 2p | 9.550157 | .08555347 |
| 5 | 3p | 14.873209 | -.00312271 |
| 6 | 4p | 1.700668 | -.16719295 |
| 7 | 5p | .887549 | -.00225679 |
| 8 | 3p | .241168 | .00218955 |
| 9 | 4p | 34.384067 | -.00012661 |
| ORB.ENERGY,a.u. | -.592220 | ||
| NORM | 1.000000 | < R > | 1.709595 | < R2 > | 3.433481 | < 1/R > | .782559 | < 1/R**2 > | 1.355187 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.185689 | .79330138 |
| 2 | 1s | 9.575346 | .16724972 |
| 3 | 2s | 5.069238 | -.64409459 |
| 4 | 3s | 2.567555 | .46052032 |
| 5 | 4s | 5.001840 | .04047889 |
| 6 | 2s | 9.828794 | -.15338490 |
| 7 | 2s | 16.834770 | -.00694183 |
| 8 | 5s | 1.662330 | -.04684239 |
| 9 | 4s | 29.036684 | .00053610 |
| ORB.ENERGY,a.u. | -1.213500 | ||
| NORM | 1.000000 | < R > | 1.506762 | < R2 > | 2.618895 | < 1/R > | .901599 | < 1/R**2 > | 4.716910 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.398099 | .46607744 |
| 2 | 3p | 7.267663 | .51306460 |
| 3 | 4p | 5.781370 | .11689781 |
| 4 | 5p | 3.741419 | .00318628 |
| 5 | 2p | 19.418622 | .00433993 |
| 6 | 5p | 37.749496 | -.00021224 |
| 7 | 3p | 1.475364 | .00044460 |
| 8 | 4p | 103.836875 | .00000330 |
| 9 | 3p | 29.374595 | -.00015107 |
| ORB.ENERGY,a.u. | -7.865700 | ||
| NORM | 1.000000 | < R > | .405529 | < R2 > | .204081 | < 1/R > | 3.202485 | < 1/R**2 > | 14.284822 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.761979 | .37486475 |
| 2 | 2s | 6.932920 | -.76838601 |
| 3 | 3s | 6.439934 | -.16180124 |
| 4 | 4s | 28.145529 | .00175084 |
| 5 | 2s | 4.830181 | -.19791527 |
| 6 | 3s | 17.541380 | .00664667 |
| 7 | 4s | 2.930406 | -.00137001 |
| 8 | 5s | 1.330252 | -.00001754 |
| ORB.ENERGY,a.u. | -10.336000 | ||
| NORM | 1.000000 | < R > | .441504 | < R2 > | .230939 | < 1/R > | 3.315870 | < 1/R**2 > | 45.244367 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577185 | 1.01112593 |
| 2 | 2s | 20.731005 | -.01850430 |
| 3 | 3s | 15.043892 | .01709839 |
| 4 | 4s | 62.499115 | -.00037537 |
| 5 | 4s | 8.164725 | .00126625 |
| 6 | 5s | 80.837860 | .00010689 |
| 7 | 5s | 8.243870 | -.00055030 |
| 8 | 2s | 28.331285 | -.00339260 |
| 9 | 2s | 165.802449 | .00000212 |
| 10 | 3s | 2.246510 | -.00002175 |
| ORB.ENERGY,a.u. | -104.100000 |
| NORM | 1.000000 | < R > | .091293 | < R2 > | .011199 | < 1/R > | 16.559970 | < 1/R**2 > | 552.993633 |
Total Energy= -459.09160501 a.u.
Kinetic Energy= 459.09354195 a.u.
Potential Energy= -918.18514696 a.u.
Virial Ratio = -1.99999578