(1s 2 2s 2 2p 1 3d 1 ) 3 F Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3332.
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 | 3d- electron | |
| 1 | 3d | 4.227771 | .93383989 |
| 2 | 3d | 7.865558 | .04835666 |
| 3 | 4d | 3.531280 | .04320901 |
| 4 | 5d | 26.847135 | -.00027271 |
| 5 | 5d | 3.217024 | -.00935798 |
| 6 | 4d | 2.243236 | .00135505 |
| ORB.ENERGY,a.u. | -8.345100 | ||
| NORM | 1.000000 | < R > | .821559 | < R2 > | .777358 | < 1/R > | 1.434781 | < 1/R**2 > | 2.504447 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.099028 | 1.08785198 |
| 2 | 3p | 8.599572 | -.10540415 |
| 3 | 2p | 17.540117 | .01178495 |
| 4 | 5p | 21.727708 | .00249347 |
| 5 | 5p | 7.072752 | .00949271 |
| 6 | 4p | 4.405121 | .00078300 |
| ORB.ENERGY,a.u. | -22.838000 | ||
| NORM | 1.000000 | < R > | .345738 | < R2 > | .144938 | < 1/R > | 3.660096 | < 1/R**2 > | 18.135042 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.589420 | .38291744 |
| 2 | 2s | 6.546811 | -.81226912 |
| 3 | 3s | 9.458990 | -.28383469 |
| 4 | 4s | 31.736051 | .00113473 |
| 5 | 5s | 18.396750 | -.00930025 |
| 6 | 5s | 7.231096 | .01292955 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .397619 | < R2 > | .185052 | < 1/R > | 3.698449 | < 1/R**2 > | 55.312356 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.194080 | .93640670 |
| 2 | 1s | 24.885292 | .06073866 |
| 3 | 2s | 14.900681 | .02025669 |
| 4 | 3s | 18.228109 | -.01498134 |
| 5 | 4s | 82.093953 | -.00006309 |
| 6 | 5s | 39.132650 | .00065785 |
| 7 | 5s | 9.815278 | .00006003 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090548 | < R2 > | .010978 | < 1/R > | 16.647009 | < 1/R**2 > | 557.516298 |
Total Energy= -367.67380299 a.u.
Kinetic Energy= 367.76684243 a.u.
Potential Energy= -735.44064542 a.u.
Virial Ratio = -1.99974702