(1s 2 2s 2 2p 2 3d 1 ) 2 D P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 2.976766 | 1.07236219 |
| 2 | 3d | 7.873620 | .01976968 |
| 3 | 4d | 3.366255 | -.07130278 |
| 4 | 5d | 26.589160 | -.00010855 |
| 5 | 5d | 3.032101 | -.01503158 |
| ORB.ENERGY,a.u. | -4.524700 | ||
| NORM | 1.000000 | < R > | 1.146343 | < R2 > | 1.508837 | < 1/R > | 1.025642 | < 1/R**2 > | 1.278906 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.804153 | 1.15691741 |
| 2 | 3p | 6.779162 | -.18075383 |
| 3 | 2p | 14.435562 | .02059283 |
| 4 | 4p | 16.880609 | .00531232 |
| 5 | 5p | 27.227605 | -.00076321 |
| 6 | 5p | 3.924943 | -.00026705 |
| 7 | 4p | 81.619536 | .00001219 |
| ORB.ENERGY,a.u. | -14.307000 | ||
| NORM | 1.000000 | < R > | .408875 | < R2 > | .203074 | < 1/R > | 3.104249 | < 1/R**2 > | 13.102983 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.923225 | .41069872 |
| 2 | 2s | 6.447126 | -.85397226 |
| 3 | 3s | 6.584687 | -.28066727 |
| 4 | 4s | 24.967381 | .00226034 |
| 5 | 3s | 14.180057 | .01639424 |
| 6 | 5s | 6.441777 | -.02818521 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .468533 | < R2 > | .257608 | < 1/R > | 3.125652 | < 1/R**2 > | 39.688914 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.110000 | .92171068 |
| 2 | 1s | 21.589781 | .07719139 |
| 3 | 2s | 13.463979 | .01932423 |
| 4 | 3s | 16.736243 | -.01553452 |
| 5 | 5s | 35.668993 | .00099043 |
| 6 | 4s | 86.700344 | -.00003293 |
| 7 | 5s | 11.491854 | .00053165 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103186 | < R2 > | .014276 | < 1/R > | 14.628403 | < 1/R**2 > | 431.100599 |
Total Energy= -296.37373501 a.u.
Kinetic Energy= 296.21970447 a.u.
Potential Energy= -592.59343948 a.u.
Virial Ratio = -2.00051999