(1s 2 2s 1 3d 1 ) 1 D P 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 | 3.997360 | .99737194 |
| 2 | 3d | 9.039280 | .01187697 |
| 3 | 4d | 8.891180 | -.00543727 |
| 4 | 5d | 26.831903 | -.00039316 |
| 5 | 4d | 46.301681 | -.00003506 |
| ORB.ENERGY,a.u. | -7.995500 | ||
| NORM | 1.000000 | < R > | .873140 | < R2 > | .872461 | < 1/R > | 1.339415 | < 1/R**2 > | 2.161962 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.357763 | .42127149 |
| 2 | 2s | 6.417428 | -.80288215 |
| 3 | 3s | 7.772171 | -.29896217 |
| 4 | 5s | 13.669223 | -.02671812 |
| 5 | 4s | 28.446102 | .00387126 |
| 6 | 5s | 38.814871 | -.00084313 |
| 7 | 4s | 2.587617 | .00004632 |
| 8 | 3s | 67.744811 | .00002345 |
| ORB.ENERGY,a.u. | -21.076000 | ||
| NORM | 1.000000 | < R > | .437542 | < R2 > | .223371 | < 1/R > | 3.372874 | < 1/R**2 > | 45.877505 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.421541 | .93876754 |
| 2 | 1s | 22.872224 | .04887140 |
| 3 | 2s | 17.449378 | .01654785 |
| 4 | 3s | 10.615753 | .00177666 |
| 5 | 4s | 60.767019 | -.00045592 |
| 6 | 5s | 81.415262 | .00016686 |
| 7 | 5s | 7.403247 | .00013133 |
| ORB.ENERGY,a.u. | -97.975000 |
| NORM | 1.000000 | < R > | .102711 | < R2 > | .014121 | < 1/R > | 14.674107 | < 1/R**2 > | 433.244342 |
Total Energy= -246.58350973 a.u.
Kinetic Energy= 246.13309671 a.u.
Potential Energy= -492.71660644 a.u.
Virial Ratio = -2.00182996