(1s 2 2s 2 2p 6 3s 2 3p 4 5p 1 ) 4 D Cl 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | 3p | 2.471638 | -.09088387 |
| 2 | 2p | 5.601778 | .02515426 |
| 3 | 2p | 10.564870 | .00501854 |
| 4 | 5p | 2.020123 | -.04297584 |
| 5 | 4p | 30.718575 | -.00004559 |
| 6 | 3p | .302579 | 2.73049124 |
| 7 | 4p | .314364 | -2.93483615 |
| 8 | 5p | .492044 | -.43166664 |
| ORB.ENERGY,a.u. | -.202930 | ||
| NORM | 1.000002 | < R > | 16.443405 | < R2 > | 305.202045 | < 1/R > | .079526 | < 1/R**2 > | .019157 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.581201 | .83238664 |
| 2 | 2p | 1.877581 | -1.07380209 |
| 3 | 3p | 4.238213 | -.38078342 |
| 4 | 2p | 9.697814 | .08039745 |
| 5 | 3p | 16.200231 | -.00239918 |
| 6 | 4p | 1.746085 | -.14139694 |
| 7 | 5p | 2.137042 | -.03608342 |
| 8 | 5p | 46.817666 | -.00004169 |
| 9 | 3p | 1.239197 | -.02535203 |
| 10 | 3p | .177740 | .00039229 |
| ORB.ENERGY,a.u. | -.592220 | ||
| NORM | 1.000000 | < R > | 1.708755 | < R2 > | 3.428570 | < 1/R > | .782827 | < 1/R**2 > | 1.356015 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.185667 | .79331702 |
| 2 | 1s | 9.575224 | .16725260 |
| 3 | 2s | 5.069210 | -.64410584 |
| 4 | 3s | 2.567478 | .46052686 |
| 5 | 4s | 5.002661 | .04048583 |
| 6 | 2s | 9.828882 | -.15338360 |
| 7 | 2s | 16.834777 | -.00694180 |
| 8 | 5s | 1.661997 | -.04689982 |
| 9 | 4s | 29.038645 | .00053592 |
| ORB.ENERGY,a.u. | -1.213500 | ||
| NORM | 1.000000 | < R > | 1.506747 | < R2 > | 2.618808 | < 1/R > | .901599 | < 1/R**2 > | 4.716886 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.398141 | .46607195 |
| 2 | 3p | 7.267668 | .51307058 |
| 3 | 4p | 5.781248 | .11690073 |
| 4 | 5p | 3.738253 | .00319149 |
| 5 | 2p | 19.418466 | .00433979 |
| 6 | 5p | 37.749822 | -.00021229 |
| 7 | 3p | 1.479648 | .00044126 |
| 8 | 4p | 103.887629 | .00000330 |
| 9 | 3p | 29.371797 | -.00015109 |
| ORB.ENERGY,a.u. | -7.865700 | ||
| NORM | 1.000000 | < R > | .405531 | < R2 > | .204084 | < 1/R > | 3.202476 | < 1/R**2 > | 14.284756 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.761977 | .37486467 |
| 2 | 2s | 6.932920 | -.76838600 |
| 3 | 3s | 6.439938 | -.16180118 |
| 4 | 4s | 28.145657 | .00175087 |
| 5 | 2s | 4.830171 | -.19791532 |
| 6 | 3s | 17.541210 | .00664666 |
| 7 | 4s | 2.930347 | -.00137056 |
| 8 | 5s | 1.330874 | -.00001762 |
| ORB.ENERGY,a.u. | -10.336000 | ||
| NORM | 1.000000 | < R > | .441504 | < R2 > | .230939 | < 1/R > | 3.315868 | < 1/R**2 > | 45.244333 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577185 | 1.01112592 |
| 2 | 2s | 20.731021 | -.01850429 |
| 3 | 3s | 15.043886 | .01709839 |
| 4 | 4s | 62.499234 | -.00037537 |
| 5 | 4s | 8.164775 | .00126624 |
| 6 | 5s | 80.838384 | .00010689 |
| 7 | 5s | 8.243919 | -.00055029 |
| 8 | 2s | 28.331285 | -.00339261 |
| 9 | 2s | 165.779859 | .00000212 |
| 10 | 3s | 2.246045 | -.00002176 |
| ORB.ENERGY,a.u. | -104.100000 |
| NORM | 1.000000 | < R > | .091293 | < R2 > | .011199 | < 1/R > | 16.559970 | < 1/R**2 > | 552.993609 |
Total Energy= -459.09176592 a.u.
Kinetic Energy= 459.09210012 a.u.
Potential Energy= -918.18386604 a.u.
Virial Ratio = -1.99999927