(1s 2 2s 1 4d 1 ) 1 D C 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 4d- electron | |
| 1 | 3d | .840473 | 1.44139679 |
| 2 | 4d | .733831 | -1.99717001 |
| 3 | 5d | 1.071852 | .05293967 |
| 4 | 3d | 2.735437 | .01334323 |
| 5 | 5d | .697391 | .04518220 |
| 6 | 4d | 2.668315 | -.01278287 |
| 7 | 5d | 21.807150 | .00002001 |
| 8 | 4d | .607059 | -.00691372 |
| 9 | 3d | 4.539474 | -.00074971 |
| ORB.ENERGY,a.u. | -.280230 | ||
| NORM | 1.000000 | < R > | 7.015160 | < R2 > | 56.323050 | < 1/R > | .188037 | < 1/R**2 > | .057187 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.161494 | .31856114 |
| 2 | 2s | 2.141312 | -.84665085 |
| 3 | 3s | 2.644411 | -.22158540 |
| 4 | 4s | 6.548189 | .02006854 |
| 5 | 3s | 7.384108 | .02233592 |
| 6 | 5s | 4.506638 | -.01983215 |
| 7 | 4s | 2.082077 | -.00352825 |
| 8 | 5s | 18.993608 | -.00014791 |
| 9 | 3s | .799975 | -.00052532 |
| 10 | 2s | 20.671160 | .00013612 |
| ORB.ENERGY,a.u. | -2.145800 | ||
| NORM | 1.000000 | < R > | 1.280919 | < R2 > | 1.915662 | < 1/R > | 1.116495 | < 1/R**2 > | 5.019776 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.280339 | .88509740 |
| 2 | 1s | 8.634840 | .12341603 |
| 3 | 2s | 4.530371 | .02016731 |
| 4 | 3s | 6.702698 | -.02294778 |
| 5 | 4s | 11.091416 | .00567937 |
| 6 | 5s | 6.457126 | -.00644355 |
| 7 | 5s | 44.741891 | -.00001765 |
| 8 | 4s | 2.723291 | .00058529 |
| ORB.ENERGY,a.u. | -12.472000 |
| NORM | 1.000000 | < R > | .267346 | < R2 > | .096230 | < 1/R > | 5.679210 | < 1/R**2 > | 65.498490 |
Total Energy= -35.03270853 a.u.
Kinetic Energy= 35.00628397 a.u.
Potential Energy= -70.03899250 a.u.
Virial Ratio = -2.00075485