(1s 2 2s 2 2p 2 4p 1 ) 4 S P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4041.
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 | 6.840774 | .22969474 |
| 2 | 3p | 2.098908 | -.54663142 |
| 3 | 5p | 2.581083 | 1.49317883 |
| 4 | 4p | 3.807114 | -.69069810 |
| 5 | 5p | 8.674119 | .03167618 |
| 6 | 4p | 20.067577 | -.00284230 |
| 7 | 5p | 2.223373 | .16411552 |
| 8 | 5p | 46.780655 | -.00026563 |
| 9 | 4p | 73.675721 | -.00004771 |
| ORB.ENERGY,a.u. | -2.790100 | ||
| NORM | 1.000000 | < R > | 2.324647 | < R2 > | 6.103173 | < 1/R > | .587711 | < 1/R**2 > | .878950 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.081563 | 1.21020102 |
| 2 | 3p | 8.203378 | -.22440552 |
| 3 | 5p | 2.656352 | .07429228 |
| 4 | 4p | 2.516233 | -.05649392 |
| 5 | 5p | 12.783629 | .01650525 |
| 6 | 4p | 26.419301 | -.00230547 |
| 7 | 5p | 59.863848 | -.00003039 |
| 8 | 3p | 1.397102 | .00143729 |
| 9 | 3p | 39.217041 | -.00020760 |
| ORB.ENERGY,a.u. | -14.991000 | ||
| NORM | 1.000000 | < R > | .408255 | < R2 > | .204950 | < 1/R > | 3.111821 | < 1/R**2 > | 13.152199 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.910620 | .41210028 |
| 2 | 2s | 6.462060 | -.85395548 |
| 3 | 3s | 6.658070 | -.28023620 |
| 4 | 4s | 25.389576 | .00218395 |
| 5 | 3s | 13.781824 | .01882719 |
| 6 | 5s | 6.691850 | -.03132735 |
| 7 | 4s | 1.907959 | .00013653 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .467525 | < R2 > | .256316 | < 1/R > | 3.131621 | < 1/R**2 > | 39.825052 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.108967 | .92171676 |
| 2 | 1s | 21.589250 | .07719945 |
| 3 | 2s | 13.422901 | .01934399 |
| 4 | 3s | 16.736358 | -.01553558 |
| 5 | 5s | 35.613988 | .00099040 |
| 6 | 4s | 86.754292 | -.00003278 |
| 7 | 5s | 11.761927 | .00050520 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103199 | < R2 > | .014280 | < 1/R > | 14.627143 | < 1/R**2 > | 431.041163 |
Total Energy= -294.49466194 a.u.
Kinetic Energy= 294.48354583 a.u.
Potential Energy= -588.97820777 a.u.
Virial Ratio = -2.00003775