(1s 2 2s 2 2p 4 3d 1 ) 4 F F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4332.
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 | .338554 | .97151557 |
| 2 | 3d | 2.485751 | .00493784 |
| 3 | 4d | 1.527907 | .00426899 |
| 4 | 5d | 4.627256 | -.00044279 |
| 5 | 5d | .368880 | .03174405 |
| ORB.ENERGY,a.u. | -.055630 | ||
| NORM | 1.000000 | < R > | 10.451521 | < R2 > | 125.030113 | < 1/R > | .112032 | < 1/R**2 > | .015215 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.211619 | .67472384 |
| 2 | 2p | 3.946234 | .31726169 |
| 3 | 2p | 9.768768 | .01607116 |
| 4 | 3p | 1.527249 | .05845889 |
| 5 | 4p | 9.457285 | .01371738 |
| 6 | 4p | .944579 | -.04668182 |
| 7 | 3p | 12.445512 | .00323267 |
| 8 | 5p | 1.050554 | .03749835 |
| ORB.ENERGY,a.u. | -1.049100 | ||
| NORM | 1.000000 | < R > | .969939 | < R2 > | 1.195541 | < 1/R > | 1.377793 | < 1/R**2 > | 2.732070 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.475463 | .30342654 |
| 2 | 2s | 3.292389 | -.83855673 |
| 3 | 3s | 2.613482 | -.32064085 |
| 4 | 4s | 4.928141 | .03173249 |
| 5 | 3s | 8.655587 | .02832489 |
| 6 | 5s | 19.487143 | .00069159 |
| 7 | 5s | 2.331444 | -.00613469 |
| 8 | 2s | 49.165467 | .00000777 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .960939 | < R2 > | 1.108668 | < 1/R > | 1.503332 | < 1/R**2 > | 9.296111 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.236472 | .87436782 |
| 2 | 1s | 12.232205 | .12130363 |
| 3 | 1s | 5.752391 | .00007739 |
| 4 | 2s | 6.007583 | .01823245 |
| 5 | 3s | 8.238702 | -.00758604 |
| 6 | 4s | 17.056064 | .00298104 |
| 7 | 5s | 52.977968 | -.00003921 |
| 8 | 5s | 4.120534 | .00043756 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175670 | < R2 > | .041563 | < 1/R > | 8.632447 | < 1/R**2 > | 150.887182 |
Total Energy= -98.88830964 a.u.
Kinetic Energy= 98.88735793 a.u.
Potential Energy= -197.77566757 a.u.
Virial Ratio = -2.00000962