(1s 2 2s 2 2p 2 4d 1 ) 2 D O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | .456142 | 2.84355956 |
| 2 | 4d | .490125 | -3.40781814 |
| 3 | 3d | 3.377682 | .00424147 |
| 4 | 5d | 1.758859 | -.00589882 |
| 5 | 4d | 7.423700 | -.00016524 |
| ORB.ENERGY,a.u. | -.123760 | ||
| NORM | 1.000001 | < R > | 10.599324 | < R2 > | 128.477532 | < 1/R > | .124161 | < 1/R**2 > | .024870 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.269951 | .83609356 |
| 2 | 2p | 4.075520 | .20679067 |
| 3 | 2p | 9.041411 | .00888376 |
| 4 | 3p | 1.460283 | .03296143 |
| 5 | 4p | 2.783508 | -.03637924 |
| 6 | 5p | 18.375051 | -.00027493 |
| 7 | 5p | 1.739139 | -.01423283 |
| 8 | 4p | 71.717059 | .00000221 |
| ORB.ENERGY,a.u. | -1.831900 | ||
| NORM | 1.000000 | < R > | .983837 | < R2 > | 1.197551 | < 1/R > | 1.319681 | < 1/R**2 > | 2.435890 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.680898 | .31133513 |
| 2 | 2s | 2.923186 | -.84305837 |
| 3 | 3s | 2.525410 | -.26496300 |
| 4 | 4s | 9.715853 | .01828775 |
| 5 | 3s | 11.230147 | .00702338 |
| 6 | 5s | 2.648697 | -.00632524 |
| 7 | 5s | 19.847558 | .00060002 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.034132 | < R2 > | 1.269041 | < 1/R > | 1.388126 | < 1/R**2 > | 7.841061 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.339949 | .73695427 |
| 2 | 1s | 10.790348 | .19547698 |
| 3 | 1s | 2.216778 | .00410644 |
| 4 | 2s | 7.733509 | .09951137 |
| 5 | 3s | 8.867430 | -.02277667 |
| 6 | 4s | 15.077909 | .00462318 |
| 7 | 5s | 3.860263 | -.00081448 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198215 | < R2 > | .052887 | < 1/R > | 7.650482 | < 1/R**2 > | 118.573699 |
Total Energy= -73.22813640 a.u.
Kinetic Energy= 73.22394729 a.u.
Potential Energy= -146.45208369 a.u.
Virial Ratio = -2.00005721