(1s 2 2s 2 2p 6 3s 2 3p 1 4p 1 ) 3 P Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | .964616 | .56434123 |
| 2 | 5p | 1.553731 | .68727089 |
| 3 | 4p | 4.136204 | -.21017584 |
| 4 | 2p | 8.409808 | .03555383 |
| 5 | 5p | 3.073148 | -.29880719 |
| 6 | 3p | 14.199509 | -.00113489 |
| 7 | 3p | .584383 | -.00242664 |
| ORB.ENERGY,a.u. | -.816930 | ||
| NORM | 1.000000 | < R > | 3.615741 | < R2 > | 14.175214 | < 1/R > | .307269 | < 1/R**2 > | .136169 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 4p | 1.451482 | .40435179 |
| 2 | 2p | 5.280118 | .35788784 |
| 3 | 2p | 1.326912 | -.37847468 |
| 4 | 3p | 2.569470 | -.93807815 |
| 5 | 2p | 10.010261 | .08967886 |
| 6 | 3p | 18.444516 | -.00200225 |
| 7 | 5p | 1.216185 | .02089100 |
| 8 | 5p | 86.966790 | .00000632 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.402920 | < R2 > | 2.431892 | < 1/R > | .981441 | < 1/R**2 > | 2.116136 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 7.900305 | -.11172663 |
| 2 | 1s | 12.185725 | .21386797 |
| 3 | 1s | 63.503442 | .00008507 |
| 4 | 2s | 5.544668 | -.46060194 |
| 5 | 3s | 2.680960 | 1.00653602 |
| 6 | 4s | 4.263194 | .10385577 |
| 7 | 3s | 36.726189 | -.00058644 |
| 8 | 5s | 2.299997 | .01837688 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.374151 | < R2 > | 2.149686 | < 1/R > | .992504 | < 1/R**2 > | 5.776503 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.788895 | .43078053 |
| 2 | 3p | 7.644281 | .51151275 |
| 3 | 5p | 4.373568 | .00548415 |
| 4 | 4p | 6.160922 | .15913881 |
| 5 | 2p | 24.429400 | .00156515 |
| 6 | 5p | 32.364826 | -.00012649 |
| 7 | 3p | 45.458179 | .00004117 |
| 8 | 3p | 8.591744 | .00022217 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404303 | < R2 > | .202627 | < 1/R > | 3.209607 | < 1/R**2 > | 14.339247 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.735650 | .37713932 |
| 2 | 2s | 6.940941 | -.76940588 |
| 3 | 3s | 6.358081 | -.16289945 |
| 4 | 4s | 27.776378 | .00181246 |
| 5 | 2s | 4.982947 | -.19721982 |
| 6 | 3s | 17.390231 | .00698487 |
| 7 | 4s | 3.884379 | -.00033061 |
| 8 | 5s | 51.664773 | .00002992 |
| 9 | 5s | 1.359592 | .00003052 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .439963 | < R2 > | .229100 | < 1/R > | 3.326665 | < 1/R**2 > | 45.512095 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579112 | 1.01106221 |
| 2 | 2s | 20.634630 | -.01842109 |
| 3 | 3s | 15.105296 | .01701763 |
| 4 | 4s | 61.750136 | -.00038699 |
| 5 | 4s | 8.439394 | .00131572 |
| 6 | 5s | 79.823313 | .00010936 |
| 7 | 5s | 8.676839 | -.00052694 |
| 8 | 2s | 28.524130 | -.00343261 |
| 9 | 2s | 153.589675 | .00000265 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091275 | < R2 > | .011194 | < 1/R > | 16.562070 | < 1/R**2 > | 553.101878 |
Total Energy= -455.66872002 a.u.
Kinetic Energy= 455.67176075 a.u.
Potential Energy= -911.34048077 a.u.
Virial Ratio = -1.99999333