(1s 2 2s 2 2p 6 3s 2 3p 4 3d 1 ) 4 D Cl 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4232.
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 | .414860 | 1.38120083 |
| 2 | 4d | .492414 | -.54220174 |
| 3 | 3d | 1.391191 | 1.03058261 |
| 4 | 4d | 1.746762 | -1.06939607 |
| 5 | 5d | 2.112300 | .33538224 |
| 6 | 3d | 6.634759 | .00636053 |
| 7 | 4d | 18.656767 | .00005573 |
| 8 | 5d | 67.904136 | .00000268 |
| ORB.ENERGY,a.u. | -.228200 | ||
| NORM | 1.000001 | < R > | 6.678928 | < R2 > | 56.918633 | < 1/R > | .214440 | < 1/R**2 > | .077133 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.572183 | .82402614 |
| 2 | 2p | 1.861709 | -1.07183615 |
| 3 | 3p | 4.229171 | -.38114119 |
| 4 | 2p | 9.660380 | .08069267 |
| 5 | 3p | 15.289790 | -.00263088 |
| 6 | 4p | 1.745080 | -.14510172 |
| 7 | 5p | 1.937487 | -.04211055 |
| 8 | 5p | 39.602855 | -.00012222 |
| 9 | 3p | .936967 | -.01732645 |
| 10 | 4p | 58.000782 | -.00001975 |
| ORB.ENERGY,a.u. | -.592220 | ||
| NORM | 1.000000 | < R > | 1.725657 | < R2 > | 3.508860 | < 1/R > | .776441 | < 1/R**2 > | 1.335411 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.185425 | .78975716 |
| 2 | 1s | 9.578453 | .16680428 |
| 3 | 2s | 5.070486 | -.64181300 |
| 4 | 3s | 2.566370 | .45837089 |
| 5 | 4s | 4.983995 | .04153213 |
| 6 | 2s | 9.832624 | -.15272144 |
| 7 | 2s | 16.783865 | -.00695798 |
| 8 | 5s | 1.640993 | -.04120362 |
| 9 | 4s | 28.963706 | .00055832 |
| 10 | 3s | .748873 | .00065750 |
| ORB.ENERGY,a.u. | -1.213500 | ||
| NORM | 1.000000 | < R > | 1.511456 | < R2 > | 2.638372 | < 1/R > | .899274 | < 1/R**2 > | 4.693391 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.396947 | .46627681 |
| 2 | 3p | 7.267617 | .51286405 |
| 3 | 4p | 5.784134 | .11681828 |
| 4 | 5p | 3.778544 | .00311904 |
| 5 | 2p | 19.426179 | .00434013 |
| 6 | 5p | 37.755777 | -.00021118 |
| 7 | 3p | 1.496568 | .00046622 |
| 8 | 4p | 101.539564 | .00000348 |
| 9 | 3p | 29.543683 | -.00014937 |
| ORB.ENERGY,a.u. | -7.865700 | ||
| NORM | 1.000000 | < R > | .405463 | < R2 > | .204002 | < 1/R > | 3.202865 | < 1/R**2 > | 14.287737 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.762103 | .37488780 |
| 2 | 2s | 6.933155 | -.76839781 |
| 3 | 3s | 6.441526 | -.16179251 |
| 4 | 4s | 28.135787 | .00174588 |
| 5 | 2s | 4.829797 | -.19791821 |
| 6 | 3s | 17.561624 | .00663890 |
| 7 | 4s | 2.897761 | -.00134083 |
| 8 | 5s | 1.380591 | -.00002528 |
| ORB.ENERGY,a.u. | -10.336000 | ||
| NORM | 1.000000 | < R > | .441471 | < R2 > | .230902 | < 1/R > | 3.316117 | < 1/R**2 > | 45.250572 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577246 | 1.01112496 |
| 2 | 2s | 20.728443 | -.01850344 |
| 3 | 3s | 15.045700 | .01709622 |
| 4 | 4s | 62.520640 | -.00037574 |
| 5 | 4s | 8.160442 | .00126772 |
| 6 | 5s | 80.855237 | .00010693 |
| 7 | 5s | 8.240603 | -.00055054 |
| 8 | 2s | 28.332437 | -.00339274 |
| 9 | 2s | 167.412617 | .00000208 |
| 10 | 3s | 2.267837 | -.00002139 |
| ORB.ENERGY,a.u. | -104.100000 |
| NORM | 1.000000 | < R > | .091292 | < R2 > | .011199 | < 1/R > | 16.560055 | < 1/R**2 > | 552.998076 |
Total Energy= -459.09920218 a.u.
Kinetic Energy= 459.11762387 a.u.
Potential Energy= -918.21682605 a.u.
Virial Ratio = -1.99995988