(1s 2 2s 2 2p 1 3d 1 ) 1 D Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 4.090121 | 1.10125298 |
| 2 | 3d | 8.328182 | .03154693 |
| 3 | 4d | 4.543017 | -.12146040 |
| 4 | 5d | 25.084385 | -.00031308 |
| 5 | 5d | 3.952005 | -.00603606 |
| ORB.ENERGY,a.u. | -8.352000 | ||
| NORM | 1.000000 | < R > | .824323 | < R2 > | .781839 | < 1/R > | 1.428163 | < 1/R**2 > | 2.477527 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.100580 | 1.08563030 |
| 2 | 3p | 8.628917 | -.10119925 |
| 3 | 2p | 17.317532 | .01257239 |
| 4 | 5p | 21.690782 | .00265774 |
| 5 | 5p | 6.815481 | .00554585 |
| ORB.ENERGY,a.u. | -22.845000 | ||
| NORM | 1.000000 | < R > | .344803 | < R2 > | .143994 | < 1/R > | 3.666632 | < 1/R**2 > | 18.186691 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.588940 | .38294682 |
| 2 | 2s | 6.547282 | -.81230246 |
| 3 | 3s | 9.457951 | -.28385901 |
| 4 | 4s | 31.719145 | .00113841 |
| 5 | 5s | 18.397290 | -.00928737 |
| 6 | 5s | 7.235465 | .01296478 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .397609 | < R2 > | .185042 | < 1/R > | 3.698545 | < 1/R**2 > | 55.315193 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.200870 | .93765119 |
| 2 | 1s | 24.922991 | .05963804 |
| 3 | 2s | 14.788742 | .01992219 |
| 4 | 3s | 18.171593 | -.01476892 |
| 5 | 4s | 81.599858 | -.00006616 |
| 6 | 5s | 38.918572 | .00064170 |
| 7 | 4s | 7.546898 | .00004815 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090548 | < R2 > | .010978 | < 1/R > | 16.646937 | < 1/R**2 > | 557.512485 |
Total Energy= -367.67570691 a.u.
Kinetic Energy= 367.77371434 a.u.
Potential Energy= -735.44942126 a.u.
Virial Ratio = -1.99973351