(1s 2 2s 2 2p 2 5p 1 ) 4 D P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | 4.303602 | .31775360 |
| 2 | 3p | 2.210698 | -3.07322159 |
| 3 | 4p | 1.969050 | 7.38735254 |
| 4 | 5p | 1.904194 | -5.15344513 |
| 5 | 2p | 8.740633 | .04948706 |
| 6 | 5p | 28.285475 | -.00067930 |
| 7 | 4p | 1.457957 | -.09106217 |
| 8 | 4p | 41.792639 | -.00015919 |
| ORB.ENERGY,a.u. | -1.766200 | ||
| NORM | 1.000000 | < R > | 3.723683 | < R2 > | 15.589989 | < 1/R > | .387516 | < 1/R**2 > | .532812 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.810629 | 1.14911518 |
| 2 | 3p | 6.862712 | -.17148036 |
| 3 | 2p | 14.395674 | .02089417 |
| 4 | 4p | 16.275193 | .00596985 |
| 5 | 5p | 26.111039 | -.00049491 |
| 6 | 5p | 1.175428 | .00009817 |
| 7 | 4p | 5.867269 | -.00228053 |
| 8 | 3p | 42.177470 | .00005040 |
| ORB.ENERGY,a.u. | -15.237000 | ||
| NORM | 1.000000 | < R > | .409414 | < R2 > | .203608 | < 1/R > | 3.100379 | < 1/R**2 > | 13.072406 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.922079 | .41184164 |
| 2 | 2s | 6.452799 | -.85484864 |
| 3 | 3s | 6.632889 | -.28052216 |
| 4 | 4s | 25.204301 | .00213635 |
| 5 | 3s | 14.047151 | .01751336 |
| 6 | 5s | 6.669420 | -.02744079 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .467151 | < R2 > | .255874 | < 1/R > | 3.134170 | < 1/R**2 > | 39.884587 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.109483 | .92171909 |
| 2 | 1s | 21.590317 | .07718924 |
| 3 | 2s | 13.448507 | .01933220 |
| 4 | 3s | 16.735618 | -.01553555 |
| 5 | 5s | 35.612320 | .00099104 |
| 6 | 4s | 86.788995 | -.00003316 |
| 7 | 5s | 11.650374 | .00051204 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103192 | < R2 > | .014278 | < 1/R > | 14.627821 | < 1/R**2 > | 431.072551 |
Total Energy= -293.44937113 a.u.
Kinetic Energy= 293.46036908 a.u.
Potential Energy= -586.90974021 a.u.
Virial Ratio = -1.99996252