(1s 2 2s 2 2p 6 3s 2 3p 4 3d 1 ) 4 D Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4232.
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 | 4d | 2.589345 | -.98058463 |
| 2 | 5d | 3.076669 | .25352645 |
| 3 | 3d | 7.864613 | .01397690 |
| 4 | 4d | 48.345877 | .00000517 |
| 5 | 3d | .974623 | .87665769 |
| 6 | 4d | 1.061876 | -.35281336 |
| 7 | 3d | 2.112701 | 1.26894135 |
| ORB.ENERGY,a.u. | -.583970 | ||
| NORM | 1.000000 | < R > | 2.276808 | < R2 > | 6.476455 | < 1/R > | .571256 | < 1/R**2 > | .446062 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.075541 | .76151460 |
| 2 | 2p | 1.812087 | -1.05232927 |
| 3 | 3p | 4.755561 | -.39220794 |
| 4 | 2p | 10.576068 | .07535687 |
| 5 | 3p | 19.073978 | -.00163216 |
| 6 | 5p | 1.841774 | -.03274812 |
| 7 | 4p | 3.951411 | -.07922061 |
| 8 | 4p | 86.734855 | .00000399 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.522756 | < R2 > | 2.720010 | < 1/R > | .881289 | < 1/R**2 > | 1.713408 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.450634 | .74870007 |
| 2 | 1s | 10.158392 | .17242670 |
| 3 | 2s | 5.378890 | -.69476582 |
| 4 | 3s | 2.791448 | .49403872 |
| 5 | 4s | 5.467203 | .06551943 |
| 6 | 2s | 10.238649 | -.16369915 |
| 7 | 2s | 16.468700 | -.01069797 |
| 8 | 5s | 1.762211 | -.04121799 |
| 9 | 4s | 31.375681 | .00062785 |
| 10 | 3s | 1.402429 | .04951770 |
| 11 | 5s | 110.048465 | .00000237 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.366344 | < R2 > | 2.151505 | < 1/R > | 1.000199 | < 1/R**2 > | 5.865403 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.892618 | .47348702 |
| 2 | 3p | 8.063387 | .47360840 |
| 3 | 4p | 6.706819 | .14333133 |
| 4 | 5p | 5.318778 | .00960388 |
| 5 | 2p | 20.034409 | .00690517 |
| 6 | 5p | 15.408288 | -.00711519 |
| 7 | 3p | 47.763999 | .00003895 |
| 8 | 3p | 2.303539 | .00103922 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375112 | < R2 > | .174152 | < 1/R > | 3.451987 | < 1/R**2 > | 16.543736 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.489110 | .38367932 |
| 2 | 2s | 7.546030 | -.80328994 |
| 3 | 3s | 6.939270 | -.26220460 |
| 4 | 4s | 30.334261 | .00158473 |
| 5 | 3s | 18.044189 | .00709716 |
| 6 | 2s | 4.304823 | -.08027787 |
| 7 | 5s | 3.279966 | -.01153324 |
| 8 | 4s | 2.973186 | .01403786 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .411755 | < R2 > | .200650 | < 1/R > | 3.559705 | < 1/R**2 > | 52.097064 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.581138 | 1.00985485 |
| 2 | 2s | 22.398368 | -.01728183 |
| 3 | 3s | 14.928338 | .01753011 |
| 4 | 4s | 51.219134 | -.00050710 |
| 5 | 4s | 12.538470 | .00289246 |
| 6 | 5s | 60.178596 | .00012333 |
| 7 | 5s | 16.006774 | -.00409528 |
| 8 | 2s | 34.450363 | -.00228679 |
| 9 | 2s | 85.532628 | .00004358 |
| 10 | 5s | 3.642771 | -.00002485 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086094 | < R2 > | .009957 | < 1/R > | 17.554464 | < 1/R**2 > | 621.193448 |
Total Energy= -525.61389196 a.u.
Kinetic Energy= 525.70391659 a.u.
Potential Energy= -1051.31780855 a.u.
Virial Ratio = -1.99982875