(1s 2 2s 2 2p 6 4p 1 ) 2 P Cl 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | 6.626672 | .28133327 |
| 2 | 3p | 10.421365 | -.04125042 |
| 3 | 4p | 3.358444 | -.71679224 |
| 4 | 5p | 2.125579 | 1.17108152 |
| 5 | 5p | 11.487941 | -.01754686 |
| 6 | 3p | 4.084153 | -.10709566 |
| 7 | 2p | 1.193002 | .06656124 |
| 8 | 3p | 74.871832 | .00000460 |
| ORB.ENERGY,a.u. | -1.867900 | ||
| NORM | 1.000001 | < R > | 2.691367 | < R2 > | 8.192616 | < 1/R > | .522550 | < 1/R**2 > | .815825 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.580203 | .45335970 |
| 2 | 3p | 7.658949 | .47633448 |
| 3 | 5p | 5.841112 | .01396720 |
| 4 | 4p | 6.503644 | .15822983 |
| 5 | 2p | 23.215949 | .00235598 |
| 6 | 5p | 16.754231 | -.00112151 |
| 7 | 4p | 40.027237 | .00006199 |
| 8 | 3p | 45.841929 | .00005565 |
| 9 | 5p | 1.864836 | -.00010197 |
| ORB.ENERGY,a.u. | -11.896000 | ||
| NORM | 1.000000 | < R > | .400713 | < R2 > | .198417 | < 1/R > | 3.230479 | < 1/R**2 > | 14.499046 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.677972 | .38028784 |
| 2 | 2s | 7.058901 | -.83650608 |
| 3 | 3s | 6.188499 | -.30776700 |
| 4 | 4s | 28.397399 | .00169771 |
| 5 | 3s | 16.799492 | .00868498 |
| 6 | 4s | 3.874653 | -.00197759 |
| 7 | 5s | 3.460962 | .00085047 |
| ORB.ENERGY,a.u. | -14.454000 | ||
| NORM | 1.000000 | < R > | .438775 | < R2 > | .227611 | < 1/R > | 3.333944 | < 1/R**2 > | 45.682374 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579794 | 1.01109665 |
| 2 | 2s | 20.586059 | -.01846393 |
| 3 | 3s | 15.179476 | .01693883 |
| 4 | 4s | 60.110881 | -.00037611 |
| 5 | 4s | 8.595032 | .00158814 |
| 6 | 5s | 76.303439 | .00009998 |
| 7 | 5s | 9.158485 | -.00071771 |
| 8 | 2s | 28.515081 | -.00346833 |
| 9 | 2s | 144.530837 | .00000363 |
| ORB.ENERGY,a.u. | -108.560000 |
| NORM | 1.000000 | < R > | .091263 | < R2 > | .011191 | < 1/R > | 16.563620 | < 1/R**2 > | 553.189186 |
Total Energy= -446.63109893 a.u.
Kinetic Energy= 446.63110284 a.u.
Potential Energy= -893.26220177 a.u.
Virial Ratio = -1.99999999