(1s 2 2s 2 2p 6 4d 1 ) 2 D Cl 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 2.077724 | 1.20496076 |
| 2 | 4d | 1.776713 | -1.74890162 |
| 3 | 3d | 4.553362 | .15585803 |
| 4 | 4d | 5.675115 | -.07656027 |
| 5 | 5d | 10.442962 | -.00240703 |
| 6 | 4d | 40.860877 | .00002028 |
| ORB.ENERGY,a.u. | -1.596900 | ||
| NORM | 1.000000 | < R > | 2.840958 | < R2 > | 9.284797 | < 1/R > | .475664 | < 1/R**2 > | .388207 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.580015 | .45360681 |
| 2 | 3p | 7.658380 | .47617139 |
| 3 | 5p | 5.846245 | .01395573 |
| 4 | 4p | 6.497726 | .15820269 |
| 5 | 2p | 23.230231 | .00234588 |
| 6 | 5p | 16.633287 | -.00106057 |
| 7 | 4p | 38.969625 | .00006198 |
| 8 | 3p | 45.018299 | .00005985 |
| 9 | 5p | 2.110436 | -.00010846 |
| ORB.ENERGY,a.u. | -11.896000 | ||
| NORM | 1.000000 | < R > | .400702 | < R2 > | .198429 | < 1/R > | 3.230880 | < 1/R**2 > | 14.503479 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.676090 | .38047208 |
| 2 | 2s | 7.061287 | -.83658096 |
| 3 | 3s | 6.186307 | -.30786146 |
| 4 | 4s | 28.234961 | .00170715 |
| 5 | 3s | 16.931218 | .00851878 |
| 6 | 4s | 3.930925 | -.00160870 |
| 7 | 5s | 3.557027 | .00056439 |
| ORB.ENERGY,a.u. | -14.454000 | ||
| NORM | 1.000000 | < R > | .438682 | < R2 > | .227521 | < 1/R > | 3.334819 | < 1/R**2 > | 45.705225 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.580400 | 1.01108535 |
| 2 | 2s | 20.556304 | -.01845117 |
| 3 | 3s | 15.194935 | .01691946 |
| 4 | 4s | 60.513306 | -.00038006 |
| 5 | 4s | 8.572469 | .00159999 |
| 6 | 5s | 77.548423 | .00010115 |
| 7 | 5s | 9.139207 | -.00071563 |
| 8 | 2s | 28.551515 | -.00347368 |
| 9 | 2s | 144.629793 | .00000352 |
| ORB.ENERGY,a.u. | -108.560000 |
| NORM | 1.000000 | < R > | .091257 | < R2 > | .011189 | < 1/R > | 16.564415 | < 1/R**2 > | 553.231017 |
Total Energy= -446.36456237 a.u.
Kinetic Energy= 446.36148196 a.u.
Potential Energy= -892.72604432 a.u.
Virial Ratio = -2.00000690