(1s 2 2s 2 2p 6 3s 2 3p 4 5d 1 ) 4 P Cl 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4152.
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 | 5d- electron | |
| 1 | 3d | .346289 | .55925681 |
| 2 | 4d | .204847 | -4.28307511 |
| 3 | 5d | .203777 | 4.13842778 |
| 4 | 4d | .338483 | .33611571 |
| 5 | 5d | 1.038250 | .04136403 |
| 6 | 3d | 1.497517 | .08576808 |
| 7 | 5d | 2.256883 | -.01893732 |
| 8 | 4d | 4.366914 | .00614147 |
| 9 | 3d | 6.539251 | .00245464 |
| ORB.ENERGY,a.u. | -.180330 | ||
| NORM | .999966 | < R > | 32.321754 | < R2 > | 1202.140709 | < 1/R > | .048485 | < 1/R**2 > | .007427 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.579852 | .83269487 |
| 2 | 2p | 1.877515 | -1.07397854 |
| 3 | 3p | 4.237068 | -.38109019 |
| 4 | 2p | 9.694183 | .08048223 |
| 5 | 3p | 16.147559 | -.00242768 |
| 6 | 4p | 1.731278 | -.14220524 |
| 7 | 5p | 2.162817 | -.03568889 |
| 8 | 5p | 47.349542 | -.00004182 |
| 9 | 3p | 1.270431 | -.02496622 |
| ORB.ENERGY,a.u. | -.592220 | ||
| NORM | 1.000000 | < R > | 1.709231 | < R2 > | 3.430690 | < 1/R > | .782646 | < 1/R**2 > | 1.355441 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.185832 | .79308862 |
| 2 | 1s | 9.575614 | .16724615 |
| 3 | 2s | 5.069439 | -.64403444 |
| 4 | 3s | 2.567794 | .46044824 |
| 5 | 4s | 4.998794 | .04055343 |
| 6 | 2s | 9.828708 | -.15337300 |
| 7 | 2s | 16.832997 | -.00694413 |
| 8 | 5s | 1.660410 | -.04656914 |
| 9 | 4s | 29.036132 | .00053665 |
| ORB.ENERGY,a.u. | -1.213500 | ||
| NORM | 1.000000 | < R > | 1.506816 | < R2 > | 2.619164 | < 1/R > | .901590 | < 1/R**2 > | 4.716914 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.397997 | .46609626 |
| 2 | 3p | 7.267656 | .51304675 |
| 3 | 4p | 5.781528 | .11689212 |
| 4 | 5p | 3.740112 | .00318751 |
| 5 | 2p | 19.419474 | .00433972 |
| 6 | 5p | 37.749211 | -.00021215 |
| 7 | 3p | 1.475818 | .00044643 |
| 8 | 4p | 103.663735 | .00000331 |
| 9 | 3p | 29.385018 | -.00015097 |
| ORB.ENERGY,a.u. | -7.865700 | ||
| NORM | 1.000000 | < R > | .405524 | < R2 > | .204076 | < 1/R > | 3.202518 | < 1/R**2 > | 14.285084 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.762012 | .37486842 |
| 2 | 2s | 6.932951 | -.76838867 |
| 3 | 3s | 6.440183 | -.16180040 |
| 4 | 4s | 28.143773 | .00174994 |
| 5 | 2s | 4.830128 | -.19791591 |
| 6 | 3s | 17.545020 | .00664571 |
| 7 | 4s | 2.920661 | -.00136240 |
| 8 | 5s | 1.287383 | -.00001867 |
| ORB.ENERGY,a.u. | -10.336000 | ||
| NORM | 1.000000 | < R > | .441497 | < R2 > | .230931 | < 1/R > | 3.315914 | < 1/R**2 > | 45.245476 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577195 | 1.01112566 |
| 2 | 2s | 20.730705 | -.01850402 |
| 3 | 3s | 15.044124 | .01709810 |
| 4 | 4s | 62.502132 | -.00037541 |
| 5 | 4s | 8.164133 | .00126644 |
| 6 | 5s | 80.839418 | .00010690 |
| 7 | 5s | 8.243466 | -.00055033 |
| 8 | 2s | 28.331415 | -.00339262 |
| 9 | 2s | 166.017949 | .00000212 |
| 10 | 3s | 2.248401 | -.00002171 |
| ORB.ENERGY,a.u. | -104.100000 |
| NORM | 1.000000 | < R > | .091293 | < R2 > | .011199 | < 1/R > | 16.559982 | < 1/R**2 > | 552.994269 |
Total Energy= -459.07003218 a.u.
Kinetic Energy= 459.06955859 a.u.
Potential Energy= -918.13959077 a.u.
Virial Ratio = -2.00000103