(1s 2 2s 2 2p 2 5p 1 ) 2 D Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
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 | 5p- electron | |
| 1 | 2p | 4.543229 | .42020241 |
| 2 | 3p | 2.625661 | -3.54723281 |
| 3 | 4p | 2.355278 | 8.07884818 |
| 4 | 5p | 2.281106 | -5.55671981 |
| 5 | 2p | 10.587507 | .03801356 |
| 6 | 5p | 36.324310 | -.00028302 |
| 7 | 4p | 53.017093 | -.00006162 |
| 8 | 4p | 1.600053 | -.01008117 |
| ORB.ENERGY,a.u. | -2.578100 | ||
| NORM | 1.000004 | < R > | 3.117494 | < R2 > | 10.930152 | < 1/R > | .457391 | < 1/R**2 > | .695868 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.045915 | 1.19442028 |
| 2 | 3p | 9.339425 | -.23651829 |
| 3 | 4p | 11.975936 | .04107387 |
| 4 | 5p | 2.827275 | .05098087 |
| 5 | 4p | 2.069006 | -.05117297 |
| 6 | 5p | 38.008279 | -.00086172 |
| 7 | 5p | 65.932005 | -.00012580 |
| 8 | 3p | 57.807032 | -.00005675 |
| ORB.ENERGY,a.u. | -65.089000 | ||
| NORM | 1.000000 | < R > | .351141 | < R2 > | .150270 | < 1/R > | 3.608047 | < 1/R**2 > | 17.647827 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.331149 | .43077445 |
| 2 | 2s | 7.487613 | -.86866925 |
| 3 | 3s | 7.647338 | -.28599651 |
| 4 | 4s | 28.788914 | .00196591 |
| 5 | 3s | 15.613061 | .01746882 |
| 6 | 5s | 7.707618 | -.02094332 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .404065 | < R2 > | .191254 | < 1/R > | 3.634070 | < 1/R**2 > | 53.559325 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.060166 | .92145269 |
| 2 | 1s | 24.151841 | .07730287 |
| 3 | 2s | 15.009208 | .01929485 |
| 4 | 3s | 18.606379 | -.01560916 |
| 5 | 5s | 40.405330 | .00085011 |
| 6 | 4s | 97.329014 | -.00003090 |
| 7 | 5s | 12.776944 | .00031187 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090734 | < R2 > | .011032 | < 1/R > | 16.624664 | < 1/R**2 > | 556.347023 |
Total Energy= -383.75273622 a.u.
Kinetic Energy= 383.73900854 a.u.
Potential Energy= -767.49174476 a.u.
Virial Ratio = -2.00003577