(1s 2 2s 2 2p 3 3d 1 ) 5 D Cl 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5232.
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 | 3.474774 | 1.12258839 |
| 2 | 3d | 7.638774 | .04824045 |
| 3 | 4d | 3.993032 | -.15143444 |
| 4 | 5d | 25.341207 | -.00015644 |
| 5 | 5d | 3.440245 | -.00548519 |
| 6 | 4d | 54.396512 | .00000518 |
| ORB.ENERGY,a.u. | -5.872900 | ||
| NORM | 1.000000 | < R > | .963059 | < R2 > | 1.072583 | < 1/R > | 1.231567 | < 1/R**2 > | 1.862458 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.723653 | 1.28692793 |
| 2 | 3p | 8.644140 | -.35096936 |
| 3 | 4p | 10.821966 | .06059710 |
| 4 | 5p | 6.168621 | .00901229 |
| 5 | 4p | 28.360692 | -.00169333 |
| 6 | 3p | 37.235037 | -.00023624 |
| 7 | 4p | 6.190143 | -.00451074 |
| ORB.ENERGY,a.u. | -18.315000 | ||
| NORM | 1.000000 | < R > | .363403 | < R2 > | .160941 | < 1/R > | 3.504035 | < 1/R**2 > | 16.746767 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.367888 | .41877602 |
| 2 | 2s | 7.396650 | -.86555647 |
| 3 | 3s | 7.121238 | -.29051305 |
| 4 | 4s | 28.761677 | .00187497 |
| 5 | 3s | 15.755371 | .01555463 |
| 6 | 5s | 7.014175 | -.01433245 |
| ORB.ENERGY,a.u. | -18.579000 | ||
| NORM | 1.000000 | < R > | .413553 | < R2 > | .200893 | < 1/R > | 3.547007 | < 1/R**2 > | 51.225678 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.181401 | .94115301 |
| 2 | 1s | 25.222489 | .05648947 |
| 3 | 2s | 14.537823 | .01862101 |
| 4 | 3s | 20.372451 | -.01477428 |
| 5 | 4s | 30.997001 | .00269623 |
| 6 | 5s | 59.307405 | .00009347 |
| 7 | 5s | 12.014236 | .00048859 |
| ORB.ENERGY,a.u. | -114.870000 |
| NORM | 1.000000 | < R > | .090886 | < R2 > | .011077 | < 1/R > | 16.607002 | < 1/R**2 > | 555.430986 |
Total Energy= -406.47054855 a.u.
Kinetic Energy= 406.54179897 a.u.
Potential Energy= -813.01234751 a.u.
Virial Ratio = -1.99982474