(1s 2 2s 2 2p 6 3s 2 3p 1 5d 1 ) 1 F Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1352.
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 | 1.333745 | .62257255 |
| 2 | 4d | .890904 | -3.12203795 |
| 3 | 5d | .843349 | 3.11852774 |
| 4 | 3d | 4.065733 | .12811642 |
| 5 | 4d | 6.117776 | -.02800219 |
| 6 | 5d | 3.297815 | .05292656 |
| 7 | 3d | 38.611396 | .00000250 |
| ORB.ENERGY,a.u. | -.351130 | ||
| NORM | 1.000007 | < R > | 7.700686 | < R2 > | 68.020250 | < 1/R > | .195198 | < 1/R**2 > | .097843 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.069708 | .36666376 |
| 2 | 2p | 1.915782 | -.42451808 |
| 3 | 3p | 2.489365 | -.69210995 |
| 4 | 2p | 9.800260 | .09084483 |
| 5 | 3p | 16.743648 | -.00247294 |
| 6 | 4p | .812485 | .00049980 |
| 7 | 5p | 45.667857 | -.00004771 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.466117 | < R2 > | 2.472334 | < 1/R > | .913002 | < 1/R**2 > | 1.832897 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.930043 | -.40547175 |
| 2 | 1s | 12.273953 | .20139081 |
| 3 | 1s | 62.396867 | .00008908 |
| 4 | 2s | 5.940412 | -.20840754 |
| 5 | 3s | 2.732096 | 1.06808955 |
| 6 | 4s | 4.648535 | .14486235 |
| 7 | 3s | 36.620704 | -.00057850 |
| 8 | 5s | 2.548628 | .02925054 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.371635 | < R2 > | 2.140626 | < 1/R > | .994108 | < 1/R**2 > | 5.794058 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.786425 | .43125445 |
| 2 | 3p | 7.644225 | .51124803 |
| 3 | 5p | 4.429624 | .00567613 |
| 4 | 4p | 6.167431 | .15885047 |
| 5 | 2p | 24.282555 | .00158380 |
| 6 | 5p | 32.732805 | -.00015590 |
| 7 | 3p | 48.278655 | .00003057 |
| 8 | 3p | 1.330262 | .00008311 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404198 | < R2 > | .202515 | < 1/R > | 3.210338 | < 1/R**2 > | 14.345214 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.736053 | .37723719 |
| 2 | 2s | 6.941587 | -.76947123 |
| 3 | 3s | 6.361104 | -.16289701 |
| 4 | 4s | 27.619417 | .00177391 |
| 5 | 2s | 4.983632 | -.19719793 |
| 6 | 3s | 17.509732 | .00693454 |
| 7 | 4s | 2.793254 | -.00018260 |
| 8 | 5s | 48.499021 | .00004107 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .439830 | < R2 > | .228950 | < 1/R > | 3.327673 | < 1/R**2 > | 45.537473 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579314 | 1.01106129 |
| 2 | 2s | 20.623550 | -.01842085 |
| 3 | 3s | 15.111752 | .01700973 |
| 4 | 4s | 61.833502 | -.00038857 |
| 5 | 4s | 8.416978 | .00132169 |
| 6 | 5s | 79.808834 | .00010958 |
| 7 | 5s | 8.659819 | -.00052868 |
| 8 | 2s | 28.527264 | -.00343294 |
| 9 | 2s | 160.445798 | .00000244 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091272 | < R2 > | .011193 | < 1/R > | 16.562399 | < 1/R**2 > | 553.119100 |
Total Energy= -455.22683376 a.u.
Kinetic Energy= 455.21297228 a.u.
Potential Energy= -910.43980604 a.u.
Virial Ratio = -2.00003045