(1s 2 2s 1 4d 1 ) 3 D P 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 3.400749 | 1.41078559 |
| 2 | 4d | 2.983257 | -1.90885502 |
| 3 | 3d | 7.646605 | .01520735 |
| 4 | 5d | 2.296551 | .00316192 |
| 5 | 4d | 14.468074 | -.00122372 |
| ORB.ENERGY,a.u. | -4.558700 | ||
| NORM | 1.000000 | < R > | 1.725384 | < R2 > | 3.403387 | < 1/R > | .762913 | < 1/R**2 > | .940156 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.266167 | .42536338 |
| 2 | 2s | 6.489999 | -.80704118 |
| 3 | 3s | 7.652323 | -.30349142 |
| 4 | 5s | 13.336353 | -.02451382 |
| 5 | 4s | 27.371472 | .00559269 |
| 6 | 5s | 36.566456 | -.00142926 |
| 7 | 4s | 5.529302 | .00106219 |
| 8 | 3s | 66.459121 | .00004027 |
| ORB.ENERGY,a.u. | -21.751000 | ||
| NORM | 1.000000 | < R > | .437602 | < R2 > | .223331 | < 1/R > | 3.369656 | < 1/R**2 > | 45.757353 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.422040 | .93896710 |
| 2 | 1s | 22.899786 | .04868624 |
| 3 | 2s | 17.492624 | .01654954 |
| 4 | 3s | 10.889283 | .00167321 |
| 5 | 4s | 60.430314 | -.00046124 |
| 6 | 5s | 80.804730 | .00016884 |
| 7 | 5s | 7.402668 | .00010445 |
| ORB.ENERGY,a.u. | -97.975000 |
| NORM | 1.000000 | < R > | .102699 | < R2 > | .014117 | < 1/R > | 14.675034 | < 1/R**2 > | 433.284844 |
Total Energy= -242.80279109 a.u.
Kinetic Energy= 242.69747132 a.u.
Potential Energy= -485.50026240 a.u.
Virial Ratio = -2.00043395